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MORITA Akihiro  森田 明弘

ORCIDConnect your ORCID iD *help
Researcher Number 70252418
Other IDs
Affiliation (Current) 2022: 東北大学, 理学研究科, 教授
Affiliation (based on the past Project Information) *help 2016 – 2021: 東北大学, 理学研究科, 教授
2012 – 2016: 東北大学, 理学(系)研究科(研究院), 教授
2014: 東北大学, 大学院理学研究科, 教授
2010 – 2011: 東北大学, 理学研究科, 教授
2007 – 2011: Tohoku University, 大学院・理学研究科, 教授 … More
2008: 東北大学, 大学院理学研究科, 教授
2005: NATIONAL INSTITUTE OF NATURAL SCIENCES, Research Center for Computational Science, Associate Professor, 計算科学研究センター, 助教授
2005: 大学共同利用機関法人自然科学研究機構(岡崎共通研究施設), 計算科学研究センター, 助教授
2004: 大学共同利用機関法人, 自然科学研究機構(岡崎共通研究施設)・計算科学研究センター, 助教授
2003: 岡崎国立共同研究機構, 計算科学研究センター, 助教授
2001 – 2002: 京都大学, 理学研究科, 助手
1998 – 2002: 京都大学, 大学院・理学研究科, 助手
1999: 京大, 理学(系)研究科, 助手 Less
Review Section/Research Field
Principal Investigator
Science and Engineering / Physical chemistry / Physical chemistry / Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
Except Principal Investigator
Science and Engineering / Physical chemistry / Broad Section E
Keywords
Principal Investigator
分子動力学シミュレーション / 和周波発生 / 表面・界面 / 電解質水溶液 / 分子動力学 / 分子シミュレーション / 不均質大気化学 / エアロゾル / 流体解析 / 気液界面 … More / 拡散 / 和周波発生分光 / 界面 / 振動分光 / 物質移動 / mass accommodation coefficient / droplet train / sum frequency generation / オゾンホール / 分子軌道法 / 電子分極 / charge response kernel / chare resonse kernel / 分子モデリング / 表面 / 硫酸エアロゾル / 電気二重層 / 界面誘電率 / Charge Response Kernel / フェルミ共鳴 / メチル基 / 界面分光 / 差スペクトル / イオン輸送 / 液液界面 / 相間移動触媒 / 分子シミュエーション / イオン移動 / 取り込み係数 / 適応係数 / 液滴法 / 凝結係数 / HO2ラジカル / Liquid-Vapor Interface / Heterogeneous Atmospheric Chemistry / Uptake coefficient / Mass accommodation coefficient / Molecular dynamics / Diffusion / Droplet train / Condensation coefficient / 液体界面 … More
Except Principal Investigator
界面 / 非線形分光 / 超高速分光 / 分子複雑系 / イオン液体 / 電気二重層 / 表面・界面物性 / 分子科学 / 大気化学 / 大気分子錯体 / 平衡定数 / 地球温暖化 / エアロゾル / 取り込み係数 / 分子シミュレーション / HO2ラジカル / 大気ラジカル種 / ラジカル反応機構 / 水和錯体 / O2-H2O錯体 / 量子化学計算 / 酸化反応機構 / 分子動力学シミュレーション / 気相ラジカル反応機構 / ポテンシャルエネルギー面 / ラジカル-水錯体 / 分子軌道法 / 反応中間体 / 水和効果 / 化学原理 / シュレーディンガー方程式の厳密解 / 理論精密分光学 / 生命量子論 / 巨大分子系 / 凝縮系 / 相対論的量子化学 / 遷移金属錯体 / 表面 / 和周波発生 / 表面・界面 / レーザー分光 / カーボンナノチューブ / 有機EL / 凝縮相 / ダイナミクス / 相関分光 / 複雑分子系 / 生体関連分子 / 時空間分光計測 / 単一分子計測 / 時空間分解計測 / 化学反応 / 溶液 / ポテンシャル面 / 積分方程式理論 / 電荷移動反応 / ダイナミックス / 溶液ダイナミックス / 励起状態 / 電子状態 / 分子動力学 / 液体統計力学 / 溶媒効果 / Potential Surface / Chemical Reaction / Dynamics / Reaction Path / Hamiltonian / Charge Polarization / Vibrationa Spectra / Water / IV-SFG / 分光エリプソメトリー / 理論・計算 / 先端計測 / 機能創成 / 分子動力学計算 Less

  • Research Projects

    (19 results)

  • Research Products

    (821 results)

  • Co-Researchers

    (49 People)

  •  Development of theory on sum frequency generation spectroscopyPrincipal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      2020 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
    • Research Institution
      Tohoku University

  •  Exploring Interface Science by Concerted Use of Advanced Spectroscopy and Theory

    • Principal Investigator
      田原 太平
    • Project Period (FY)
      2018 – 2022
    • Research Category
      Grant-in-Aid for Scientific Research (S)
    • Review Section
      Broad Section E
    • Research Institution
      Institute of Physical and Chemical Research

  •  Support for International Activities of Studying the Function of Soft Molecular Systems by Concerted Use of Theory and Experiment

    • Principal Investigator
      TAHARA Tahei
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Institute of Physical and Chemical Research

  •  Microscopic theory of phase transfer catalysis at liquid-liquid interfacesPrincipal Investigator

    • Principal Investigator
      Morita Akihiro
    • Project Period (FY)
      2014 – 2018
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Tohoku University

  •  Structure and dynamics of ionic liquid/molecular liquid interfaces : functionality of interfaces under the application of potentials

    • Principal Investigator
      Ouchi Yukio
    • Project Period (FY)
      2014 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Tokyo Institute of Technology

  •  Theory of Structure and Functions of Liquid and Polymer InterfacesPrincipal Investigator

    • Principal Investigator
      Morita Akihiro
    • Project Period (FY)
      2013 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Tohoku University

  •  Study on the mechanism and functionality of the electric double layer of ionic liquid interfaces

    • Principal Investigator
      OUCHI Yukio
    • Project Period (FY)
      2011 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Tokyo Institute of Technology
      Nagoya University

  •  Theory and computational method of interfacial sum frequency generation spectrosocpyPrincipal Investigator

    • Principal Investigator
      MORITA Akihiro
    • Project Period (FY)
      2009 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Tohoku University

  •  実験と理論計算の連携による溶液界面構造の微視的解明Principal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Tohoku University

  •  分子シミュレーションに基づく和周波発生の理論の深化Principal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Tohoku University

  •  実験と理論計算の連携による界面和周波分光の解析Principal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Tohoku University

  •  Study of complex molecular systems by advanced molecular spectroscopy

    • Principal Investigator
      TAHARA Tahei
    • Project Period (FY)
      2007 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The Institute of Physical and Chemical Research

  •  Development of the two-color sum-frequency gener at ion spectrometer with wide range wavelength tunability

    • Principal Investigator
      MIYAMAE Takayuki
    • Project Period (FY)
      2006 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      National Institute of Advanced Industrial Science and Technology

  •  Theoretical Study on Surface Structure and Mass Transfer at Atmospheric AerosolsPrincipal Investigator

    • Principal Investigator
      MORITA Akihiro
    • Project Period (FY)
      2003 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      National Institute of Natural Sciences Okazaki Research Facilities
      Okazaki National Research Institutes

  •  量子的化学原理の深化と実現

    • Principal Investigator
      中辻 博
    • Project Period (FY)
      2002 – 2006
    • Research Category
      Grant-in-Aid for Creative Scientific Research
    • Research Institution
      Kyoto University

  •  ラジカル連鎖に関連する素反応過程の理論的研究

    • Principal Investigator
      橋本 健朗, 長村 吉洋
    • Project Period (FY)
      2001 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Tokyo Metropolitan University
      Rikkyo University

  •  成層圏エアロゾル表面での不均質大気化学の理論的研究Principal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University

  •  溶液内分子のダイナミックスと電子分極の理論的研究Principal Investigator

    • Principal Investigator
      森田 明弘
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University

  •  Potentiai Energy Surfaces and Dynamics of Chemical Reactions in Solution

    • Principal Investigator
      KATO Shigeki
    • Project Period (FY)
      1998 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (B)
    • Research Institution
      Kyoto University

All 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book

  • [Book] Theory of Sum Frequency Generation Spectroscopy2018
    • Author(s)
      Akihiro Morita
    • Total Pages
      264
    • Publisher
      Springer
    • ISBN
      9789811316074
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Book] Theory of Sum Frequency Generation Spectroscopy2018
    • Author(s)
      Akihiro Morita
    • Total Pages
      264
    • Publisher
      Springer
    • ISBN
      9789811316074
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Book] 「巨大分子系の計算化学」CSJ カレントレビュー・シリーズ第8巻第14章, "液体界面の分子の状態"2012
    • Author(s)
      森田 明弘, 他
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Book] 巨大分子系への計算化学CSJカレントレビュー・シリーズ第8巻"液体界面の分子の状態"2012
    • Author(s)
      森田明弘
    • Total Pages
      201
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Book] 大学院講義物理化学(第2版)第II巻第6章"溶液反応の速度論"2011
    • Author(s)
      森田明弘
    • Publisher
      東京化学同人
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Book] 大学院講義物理化学(第2版)第II巻第6章,"溶液反応の速度論"2011
    • Author(s)
      森田 明弘, 他
    • Publisher
      東京化学同人
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Reply to the ‘Comment on “Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy- and molecular dynamics simulation-based study”’ by M. Deutsch, O. M. Magnussen, J. Haddad, D. Pontoni, B. M. Murphy and B. M. Ocko, Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/D0CP04882H2021
    • Author(s)
      T. Iwahashi、T. Ishiyama、Y. Sakai、A. Morita、D. Kim、Y. Ouchi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 23 Pages: 5028-5030

    • DOI

      10.1039/d1cp00171j

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Recent progress in simulating microscopic ion transport mechanisms at liquid?liquid interfaces2021
    • Author(s)
      A. Morita、A. Koizumi、T. Hirano
    • Journal Title

      The Journal of Chemical Physics

      Volume: 154 Pages: 080901-080901

    • DOI

      10.1063/5.0039172

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Development of quadrupole susceptibility automatic calculator in sum frequency generation spectroscopy and application to methyl C-H vibrations2020
    • Author(s)
      W. Mori、L. Wang、Y. Sato、A. Morita
    • Journal Title

      The Journal of Chemical Physics

      Volume: 153 Pages: 174705-174705

    • DOI

      10.1063/5.0026341

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Quadrupole Contribution of C=O Vibrational Band in Sum Frequency Generation Spectra of Organic Carbonates2020
    • Author(s)
      Lin Wang, Wataru Mori, Akihiro Morita*, Masato Kondoh, Masanari Okuno, and Taka-aki Ishibashi*
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 11 Pages: 8527-8531

    • DOI

      10.1021/acs.jpclett.0c02453

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19K05362, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations2020
    • Author(s)
      T. Hirano、A. Morita
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 124 Pages: 3811-3827

    • DOI

      10.1021/acs.jpcb.0c01467

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] In Situ Monitoring of the Unsaturated Phospholipid Monolayer Oxidation in Ambient Air by HD-SFG Spectroscopy2020
    • Author(s)
      K. Inoue、C. Takada、L. Wang、A. Morita、S. Ye
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 124 Pages: 5246-5250

    • DOI

      10.1021/acs.jpcb.0c03408

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368, KAKENHI-PROJECT-19K15496

  • [Journal Article] Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy- and molecular dynamics simulation-based study2020
    • Author(s)
      Iwahashi Takashi、Ishiyama Tatsuya、Sakai Yasunari、Morita Akihiro、Kim Doseok、Ouchi Yukio
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 22 Pages: 12565-12576

    • DOI

      10.1039/d0cp01219j

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K05539, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Large-Scale Parallel Implementation of Hartree?Fock Exchange Energy on Real-Space Grids Using 3D-Parallel Fast Fourier Transform2020
    • Author(s)
      H. Takahashi、S. Sakuraba、A. Morita
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 60 Pages: 1376-1389

    • DOI

      10.1021/acs.jcim.9b01063

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-17K05138

  • [Journal Article] Revealing Transient Shuttling Mechanism of Catalytic Ion Transport through Liquid?Liquid Interface2020
    • Author(s)
      A. Koizumi、H. Tahara、T. Hirano、A. Morita
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 11 Pages: 1584-1588

    • DOI

      10.1021/acs.jpclett.9b03742

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Journal Article] Refractive index of nanoconfined water reveals its anomalous physical properties2020
    • Author(s)
      T. H. H. Le、A. Morita、T. Tanaka
    • Journal Title

      Nanoscale Horizons

      Volume: 5 Pages: 1016-1024

    • DOI

      10.1039/d0nh00180e

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Comment on “Toward Unraveling the Puzzle of Sum Frequency Generation Spectra at Interface of Aqueous Methanol Solution: Effects of Concentration-Dependent Hyperpolarizability”2020
    • Author(s)
      T. Ishiyama、S. Takagi、T. Hirano、L. Wang、A. Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Pages: 25160-25162

    • DOI

      10.1021/acs.jpcc.0c06234

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-20H00368

  • [Journal Article] Effect of Frequency-Dependent Fresnel Factor on the Vibrational Sum Frequency Generation Spectra for Liquid/Solid Interfaces2019
    • Author(s)
      Wang Lin、Nihonyanagi Satoshi、Inoue Ken-ichi、Nishikawa Kei、Morita Akihiro、Ye Shen、Tahara Tahei
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 123 Pages: 15665-15673

    • DOI

      10.1021/acs.jpcc.9b04043

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19K15496, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-17H01879

  • [Journal Article] Nonlinear spectroscopy and interfacial structure and dynamics2019
    • Author(s)
      A. Benderskii、A. Morita
    • Journal Title

      The Journal of Chemical Physics

      Volume: 151 Pages: 150401-150401

    • DOI

      10.1063/1.5129103

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Journal Article] Calculation of Solvation Free Energy Utilizing a Constrained QM/MM Approach Combined with a Theory of Solutions2019
    • Author(s)
      Takahashi Hideaki、Kambe Hiroyuki、Morita Akihiro
    • Journal Title

      J. Chem. Phys.

      Volume: 150 Pages: 114109-114109

    • DOI

      10.1063/1.5089199

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05138, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] Molecular Structure and Vibrational Spectra at Water/Poly(2-methoxyethylacrylate) and Water/Poly(methyl methacrylate) Interfaces: A Molecular Dynamics Simulation Study2019
    • Author(s)
      S. Kishinaka、A. Morita、T.Ishiyama
    • Journal Title

      J. Chem. Phys.

      Volume: 150 Pages: 044707-044707

    • DOI

      10.1063/1.5074144

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003

  • [Journal Article] Nuclear Quantum Effect on the χ(2) Band Shape of Vibrational Sum Frequency Generation Spectra of Normal and Deuterated Water Surfaces2019
    • Author(s)
      T. Ishiyama、A. Morita
    • Journal Title

      J. Phys. Chem. Lett.

      Volume: 10 Pages: 5070-5075

    • DOI

      10.1021/acs.jpclett.9b02069

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-16H04095

  • [Journal Article] Topologically Disordered Mesophase at Topmost Surface of Crystalline Ice between 120 and 200 K2019
    • Author(s)
      T. Sugimoto, Y. Otsuki, T. Ishiyama, A. Morita, K. Watanabe, and Y. Matsumoto
    • Journal Title

      Phys. Rev.B

      Volume: 99 Pages: 121402-121402

    • DOI

      10.1103/physrevb.99.121402

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H06087, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-16H02249, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-16H06029, KAKENHI-PROJECT-17J08352, KAKENHI-PROJECT-26288003

  • [Journal Article] Role of the Photosystem II as an Environment in the Oxidation Free Energy of the Mn Cluster from S1 to S22019
    • Author(s)
      H. Takahashi、D. Suzuoka、S. Sakuraba、A. Morita
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 123 Pages: 7081-7091

    • DOI

      10.1021/acs.jpcb.9b03831

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-17K05138

  • [Journal Article] Metamaterials-Enhanced Infrared Spectroscopic Study of Nanoconfined Molecules by Plasmonics-Nanofluidics Hydrid Device2018
    • Author(s)
      Le Thu H. H.、Morita Akihiro、Mawatari Kazuma、Kitamori Takehiko、Tanaka Takuo
    • Journal Title

      ACS Photonics

      Volume: 5 Pages: 3179-3188

    • DOI

      10.1021/acsphotonics.8b00398

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-17H05471, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003, KAKENHI-PROJECT-18H03889

  • [Journal Article] Origin of the Overpotential for the Oxygen Evolution Reaction on a Well-defined Graphene Electrode Probed by in situ Sum Frequency Generation Spectroscopy2018
    • Author(s)
      Q. Peng、J. Chen、H. Ji、A. Morita、S. Ye
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 140 Pages: 15548-15571

    • DOI

      10.1021/jacs.8b08285

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-17H01879, KAKENHI-PROJECT-26288003

  • [Journal Article] 液液界面でのイオン輸送の分子機構2018
    • Author(s)
      森田 明弘
    • Journal Title

      Colloid & Interface Communication

      Volume: 4 Pages: 26-28

    • NAID

      40021626163

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Journal Article] 液液界面でのイオン輸送の分子機構2018
    • Author(s)
      森田 明弘
    • Journal Title

      Colloid & Interface Communication

      Volume: 43 Pages: 26-28

    • NAID

      40021626163

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Journal Article] Electrolyte and Temperature Effects on Third-Order Susceptibility in Sum Frequency Generation Spectroscopy of Aqueous Salt Solutions2018
    • Author(s)
      T. Joutsuka、A. Morita
    • Journal Title

      J. Phys. Chem. C

      Volume: 122 Pages: 11407-11413

    • DOI

      10.1021/acs.jpcc.8b02445

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] Effects of third-order susceptibility in sum frequency generation spectra: a molecular dynamics study in liquid water2018
    • Author(s)
      Joutsuka Tatsuya、Hirano Tomonori、Sprik Michiel、Morita Akihiro
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Pages: 3040-3053

    • DOI

      10.1039/c7cp01978e

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003

  • [Journal Article] Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces2018
    • Author(s)
      Ishiyama Tatsuya、Shirai Shinnosuke、Okumura Tomoaki、Morita Akihiro
    • Journal Title

      J. Chem. Phys.

      Volume: 148 Pages: 222801-222801

    • DOI

      10.1063/1.5006543

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-18H05265

  • [Journal Article] Microscopic Investigation of Ethylene Carbonate Interface: A Molecular Dynamics and Vibrational Spectroscopic Study2018
    • Author(s)
      L. Wang, L. Xin, T. Ishiyama, Q. Peng, S. Ye, A. Morita
    • Journal Title

      Acta Physico-Chimica Sinca

      Volume: 34 Pages: 1124-1135

    • DOI

      10.3866/pku.whxb201801291

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-17H01879, KAKENHI-PROJECT-26288003

  • [Journal Article] Structure at the air/water interface in the presence of phenol: A study by heterodyne-detected vibrational sum frequency generation and molecular dynamics simulation2018
    • Author(s)
      Kusaka Ryoji、Ishiyama Tatsuya、Nihonyanagi Satoshi、Morita Akihiro、Tahara Tahei
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 20 Pages: 3002-3009

    • DOI

      10.1039/c7cp05150f

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003, KAKENHI-PLANNED-25104005, KAKENHI-PROJECT-16H04095

  • [Journal Article] Bulk Contributions Modulate the Sum-Frequency Generation Spectra of Interfacial Water on Model Sea-Spray Aerosols2018
    • Author(s)
      S. K. Reddy 、R. Thiraux、B. A. Wellen Rudd 、L. Lin、T. Adel 、T. Joutsuka 、F. M. Geiger 、H. C. Allen 、A. Morita、F. Paesani
    • Journal Title

      Chem

      Volume: 4 Pages: 1629-1644

    • DOI

      10.1016/j.chempr.2018.04.007

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] Singularity-Free Constraint on Molecular Dynamics beyond Lagrange Multiplier2018
    • Author(s)
      T. Hirano 、L. Wang、A. Morita
    • Journal Title

      Mol. Sim.

      Volume: 44 Pages: 965-972

    • DOI

      10.1080/08927022.2018.1467012

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] A Simple and Efficacious Solution to the Constrained QM/MM Simulations2018
    • Author(s)
      Takahashi Hideaki、Kambe Hiroyuki、Morita Akihiro
    • Journal Title

      J. Chem. Phys.

      Volume: 148 Pages: 134119-134119

    • DOI

      10.1063/1.5019874

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05138, KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] Hydrated Ion Clusters in Hydrophobic Liquid: Equilibrium Distribution, Kinetics and Implications2018
    • Author(s)
      L. J. Wang、N. Kikkawa 、A. Morita
    • Journal Title

      J. Phys. Chem. B

      Volume: 122 Pages: 3562-3571

    • DOI

      10.1021/acs.jpcb.7b10740

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H05265, KAKENHI-PROJECT-26288003

  • [Journal Article] Theoretical and experimental examination of SFG polarization analysis at acetonitrile-water solution surfaces2017
    • Author(s)
      Kengo Saito, Qiling Peng, Lin Qiao, Lin Wang, Tatsuya Joutsuka, Tatsuya Ishiyama, Shen Ye, and Akihiro Morita
    • Journal Title

      ysical Chemistry Chemical Physics

      Volume: 19 Pages: 8941-8961

    • DOI

      10.1039/c6cp08856b

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003, KAKENHI-PROJECT-17H01879

  • [Journal Article] Unveiling subsurface hydrogen-bond structure of hexagonal water ice.2017
    • Author(s)
      Otsuki Yuji、Sugimoto Toshiki、Ishiyama Tatsuya、Morita Akihiro、Watanabe Kazuya、Matsumoto Yoshiyasu
    • Journal Title

      Physical Reveiw B

      Volume: 96 Pages: 115405-115405

    • DOI

      10.1103/physrevb.96.115405

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PUBLICLY-16H00937, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H02249, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-17J08352

  • [Journal Article] Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions2017
    • Author(s)
      Hideaki Takahashi, Satoru Umino, Yuuji Miki, Ryosuke Ishizuka, Akihiro Morita, Makoto Suzuki, and Nobuyuki Matubayasi
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 121 Pages: 2279-2287

    • DOI

      10.1021/acs.jpcb.7b00637

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-26288003, KAKENHI-PROJECT-16K13860, KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-17K05138

  • [Journal Article] Theoretical Investigation of C?H Vibrational Spectroscopy. 1. Modeling of Methyl and Methylene Groups of Ethanol with Different Conformers2017
    • Author(s)
      Wang Lin、Ishiyama Tatsuya、Morita Akihiro
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 121 Pages: 6687-6700

    • DOI

      10.1021/acs.jpca.7b05320

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H04095

  • [Journal Article] Experimental and Theoretical Evidence for Bilayer-by-Bilayer Surface Melting of Crystalline Ice2017
    • Author(s)
      M. Alejandra Sanchez, Tanja Kling, Tatsuya Ishiyama, Marc-Jan van Zadel, Patrick J. Bisson, Markus Mezger, Mara Nikola Jochum, Jenee D. Cyran, Wilbert J. Smit, Huib J. Bakker, Mary Jane Shultz, Akihiro Morita, Davide Donadio, Yuki Nagata, Mischa Bonn, Ellen H. G. Backus
    • Journal Title

      Proceedings of the National Academy of Sciences of the United States of America

      Volume: 114 Pages: 227-232

    • DOI

      10.1073/pnas.1612893114

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003

  • [Journal Article] A QM/MM study on the correlation between the polarisations of and electrons in a hydrated benzene2017
    • Author(s)
      Suzuoka Daiki、Takahashi Hideaki、Morita Akihiro
    • Journal Title

      Molecular Simulation

      Volume: 43 Pages: 1209-1217

    • DOI

      10.1080/08927022.2017.1350661

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17K05138, KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003

  • [Journal Article] Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy2017
    • Author(s)
      T. Ishiyama and A. Morita
    • Journal Title

      Annual Review of Physical Chemistry

      Volume: 68 Pages: 1-22

    • DOI

      10.1146/annurev-physchem-052516-044806

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003

  • [Journal Article] 水表面の不均一化学の分子シミュレーション2017
    • Author(s)
      森田 明弘
    • Journal Title

      大気化学研究

      Volume: 36

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Journal Article] Free Energy Calculation2017
    • Author(s)
      Akihiro Morita
    • Journal Title

      Elsevier Reference Module in Chemistry, Molecular Sciences and Chemical Engineering

      Volume: -

    • DOI

      10.1016/b978-0-12-409547-2.12786-6

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] 水表面の不均一化学の分子シミュレーション2017
    • Author(s)
      森田　明弘
    • Journal Title

      大気化学研究

      Volume: 36

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Journal Article] Theoretical Investigation of C?H Vibrational Spectroscopy. 2. Unified Assignment Method of IR, Raman, and Sum Frequency Generation Spectra of Ethanol2017
    • Author(s)
      Wang Lin、Ishiyama Tatsuya、Morita Akihiro
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 121 Pages: 6701-6712

    • DOI

      10.1021/acs.jpca.7b05378

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-26288003, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-16H04095

  • [Journal Article] Efficient spectral diffusion at the air/water interface revealed by femtosecond time-resolved heterodyne-detected vibrational sum frequency generation spectroscopy2016
    • Author(s)
      Ken-ichi Inoue, Tatsuya Ishiyama, Satoshi Nihonyanagi, Shoichi Yamaguchi, Akihiro Morita, and Tahei Tahara
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 7 Pages: 1811-1815

    • DOI

      10.1021/acs.jpclett.6b00701

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PLANNED-25104005, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003

  • [Journal Article] Hydrogen-Bonding Structure at Zwitterionic Lipid/Water Interface2016
    • Author(s)
      Tatsuya Ishiyama, Daichi Terada, and Akihiro Morita
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 7 Pages: 216-220

    • DOI

      10.1021/acs.jpclett.5b02567

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Condensed Phase QM/MM Simulations Utilizing the Exchange Core Functions to Describe Exchange Repulsions at the QM Boundary Region2016
    • Author(s)
      Satoru Umino, Hideaki Takahashi, and Akihiro Morita
    • Journal Title

      J. Chem. Phys.

      Volume: 145 Pages: 084107-084107

    • DOI

      10.1063/1.4961373

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Efficient Computation of Difference Vibrational Spectra in Isothermal-Isobaric Ensemble2016
    • Author(s)
      Tatsuya Joutsuka and Akihiro Morita
    • Journal Title

      J. Phys. Chem. B

      Volume: 120 Pages: 11229-11238

    • DOI

      10.1021/acs.jpcb.6b07121

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Computational Study of Effect of Water Finger on Ion Transport through Water-Oil Interface2016
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Journal Title

      J. Chem. Phys

      Volume: 145

    • DOI

      10.1063/1.4954774

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Surface Structure of Organic Carbonate Liquids Investigated by Molecular Dynamics Simulation and Sum Frequency Generation Spectroscopy2016
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, and Akihiro Morita
    • Journal Title

      J. Phys. Chem. C

      Volume: 120 Pages: 15185-15197

    • DOI

      10.1021/acs.jpcc.6b03935

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Bend vibration of surface water investigated by heterodyne-detected sum frequency generation and theoretical study: Dominant role of quadrupole2016
    • Author(s)
      Achintya Kundu, Shogo Tanaka, Tatsuya Ishiyama, Mohammed Ahmed, Ken-ichi Inoue, Satoshi Nihonyanagi, Hiromi Sawai, Shoichi Yamaguchi, Akihiro Morita, and Tahei Tahara
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 7 Pages: 2597-2601

    • DOI

      10.1021/acs.jpclett.6b00657

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PLANNED-25104005, KAKENHI-PROJECT-16H04095, KAKENHI-PROJECT-26288003

  • [Journal Article] Improved Theory of Difference Vibrational Spectroscopy and Application to Water2016
    • Author(s)
      Tatsuya Joutsuka and Akihiro Morita
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 12 Pages: 5026-5036

    • DOI

      10.1021/acs.jctc.6b00697

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study2015
    • Author(s)
      Takashi Iwahashi, Tatsuya Ishiyama, Yasunari Sakai,Akihiro Morita, Doseok Kime and Yukio Ouchi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Pages: 24587-24593

    • DOI

      10.1039/c5cp03307a

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26248004, KAKENHI-PROJECT-15H06200, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Surface Structure of Methanol/Water Solutions via Sum-Frequency Orientational Analysis and Molecular Dynamics Simulation2015
    • Author(s)
      Takashi Ishihara, Tatsuya Ishiyama, and Akihiro Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 119 Pages: 9879-9889

    • DOI

      10.1021/acs.jpcc.5b01197

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Construction of Exchange Repulsion in Terms of the Wave Functions at QM/MM Boundary Region2015
    • Author(s)
      Hideaki Takahashi, Satoru Umino, and Akihiro Morita
    • Journal Title

      J. Chem. Phys.

      Volume: 143 Pages: 084104-084114

    • DOI

      10.1063/1.4928762

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface2015
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 137 Pages: 8022-8025

    • DOI

      10.1021/jacs.5b04375

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-13J02345, KAKENHI-PROJECT-26288003

  • [Journal Article] 4. 電極界面におけるイオンの水和殻崩壊過程の時間分解赤外分光観察2014
    • Author(s)
      山方啓, 大澤雅俊, 森田明弘
    • Journal Title

      Electrochemistry

      Volume: 82 Issue: 9 Pages: 771-776

    • DOI

      10.5796/electrochemistry.82.771

    • NAID

      130004688662

    • ISSN
      1344-3542, 2186-2451
    • Language
      English
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23000009, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003, KAKENHI-PROJECT-23360360

  • [Journal Article] Computation of the free energy due to electron density fluctuation of a solute in solution: A QM/MM method with perturbation approach combined with a theory of solutions2014
    • Author(s)
      Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita
    • Journal Title

      Journal of Chemical Physics

      Volume: 140 Pages: 134111-134111

    • DOI

      10.1063/1.4870037

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25620004, KAKENHI-PROJECT-26288003

  • [Journal Article] Computational Molecular Science of Liquid Interfaces2014
    • Author(s)
      森田 明弘
    • Journal Title

      Molecular Science

      Volume: 8 Issue: 1 Pages: A0070

    • DOI

      10.3175/molsci.8.a0070

      10.3175/molsci.8.A0070

    • NAID

      130004688038

    • ISSN
      1881-8404
    • Language
      Japanese
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] Theory and Efficient Computation of Differential Vibrational Spectra2014
    • Author(s)
      T. Ishiyama, T. Imamura, A. Morita
    • Journal Title

      The Journal of Chemical Physics

      Volume: (in press) Pages: 144109-144109

    • DOI

      10.1063/1.4870523

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Molecular Dynamics Analysis of NaOH Aqueous Solution Surface and the Sum Frequency Generation Spectra: Is Surface OH- Detected by SFG Spectroscopy?2014
    • Author(s)
      Takako Imamura, Tatsuya Ishiyama, and Akihiro Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 118 Pages: 29017-29027

    • DOI

      10.1021/jp502890s

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation2014
    • Author(s)
      Yusuke Tabe, Nobuaki Kikkawa, Hideaki Takahashi, and Akihiro Morita.
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 118(2) Pages: 977-988

    • DOI

      10.1021/jp4078882

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-13J02345, KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25620004

  • [Journal Article] Theory and Efficient Computation of Differential Vibrational Spectra2014
    • Author(s)
      Tatsuya Ishiyama, Takako Imamura, and Akihiro Morita.
    • Journal Title

      Chem. Rev.

      Volume: (印刷中)(掲載確定) Pages: 8447-8470

    • DOI

      10.1021/cr4004133

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-13J02328, KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Reply to "Comment on `Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation"2014
    • Author(s)
      Yusuke Tabe, Nobuaki Kikkawa, Hideaki Takahashi, and Akihiro Morita
    • Journal Title

      J. Phys. Chem. C

      Volume: 118(5) Pages: 2895-2895

    • DOI

      10.1021/jp5005083

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-13J02345, KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003

  • [Journal Article] Erratum: `Theory and Efficient Computation of Differential Vibrational Spectra' [J. Chem. Phys., 140, 144109 (2014)]2014
    • Author(s)
      Suguru Sakaguchi, Tatsuya Ishiyama, and Akihiro Morita
    • Journal Title

      J. Chem. Phys.

      Volume: 141 Pages: 149901-149901

    • DOI

      10.1063/1.4897417

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26288003

  • [Journal Article] A Direct Evidence of Vibrationally Delocalized Response at Ice Surface2014
    • Author(s)
      Tatsuya Ishiyama and Akihiro Morita
    • Journal Title

      The Journal of Chemical Physics

      Volume: 141

    • DOI

      10.1063/1.4895547

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001, KAKENHI-PROJECT-26288003

  • [Journal Article] Tip-Enhanced Raman Spectroscopy of 4,4'-Bipyridine and 4,4'-Bipyridine N, N'-Dioxide Adsorbed on Gold Thin Films2013
    • Author(s)
      Izabela I. Rzeznicka, Hideyuki Horino, Nobuaki Kikkawa, Suguru Sakaguchi, Akihiro Morita, Satoshi Takahashi, Tadahiro Komeda, Hiroshi Fukumura, Taro Yamada, and Maki Kawai
    • Journal Title

      Surface Science

      Volume: 617 Pages: 1-9

    • DOI

      10.1016/j.susc.2013.08.010

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-13J02345, KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003, KAKENHI-PLANNED-25104007, KAKENHI-PROJECT-25390001

  • [Journal Article] Real-Time Observation of the Destruction of Hydration Shells under Electrochemical Force2013
    • Author(s)
      Akira Yamakata, Eiji Soeta, Tatsuya Ishiyama, Masatoshi Osawa, and Akihiro Morita
    • Journal Title

      The Journal of the American Chemical Society

      Volume: 135 Pages: 15033-15039

    • DOI

      10.1021/ja408326d

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-23000009, KAKENHI-PROJECT-23360360, KAKENHI-PROJECT-24550143, KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-25410001

  • [Journal Article] Molecular Dynamics Study of Water Transfer at Supercooled Sulfuric Acid Solution Surface Covered with Butanol2013
    • Author(s)
      S. Sakaguchi, A. Morita
    • Journal Title

      J. Phys. Chem. A

      Volume: 117 Pages: 4602-4610

    • DOI

      10.1021/jp310305a

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003

  • [Journal Article] A Molecular Dynamics Study on Inner Pressure of Microbubbles in Liquid Argon and Water2013
    • Author(s)
      Hideaki Takahashi and Akihiro Morita
    • Journal Title

      Chem. Phys. Lett.

      Volume: 573 Pages: 35-40

    • DOI

      10.1016/j.cplett.2013.04.041

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003

  • [Journal Article] Computational Analysis of the Quadrupole Contribution in the Second-Harmonic Generation Spectroscopy for the Water/Vapor Interface2013
    • Author(s)
      K. Shiratori, S. Yamaguchi, T. Tahara, A. Morita
    • Journal Title

      J. Chem. Phys.

      Volume: 138 Pages: 64704-64704

    • DOI

      10.1063/1.4802916

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PLANNED-25104003

  • [Journal Article] Molecular Dynamics Study of Phase Transfer Catalyst for Ion Transfer through Water-Chloroform Interface2012
    • Author(s)
      Nobuaki Kikkawa, Tatsuya Ishiyama, Akihiro Morita
    • Journal Title

      Chem.Phys.Lett.

      Volume: 534 Pages: 19-22

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Origin of vibrational spectroscopic response at ice surface2012
    • Author(s)
      T. Ishiyama, H. Takahashi, A. Morita
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 3 Pages: 3001-3006

    • DOI

      10.1021/jz3012723

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] SFGスペクトルのシミュレーション2012
    • Author(s)
      森田明弘
    • Journal Title

      分光研究

      Volume: 61 Pages: 236-242

    • NAID

      10031131712

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Vibrational spectrum at a water surface : a hybrid quantum mechanics/molecular mechanics molecular dynamics approach2012
    • Author(s)
      T. Ishiyama, H. Takahashi, A. Morita
    • Journal Title

      Journal of Physics : Condensed Matter

      Volume: 24

    • DOI

      10.1088/0953-8984/24/12/124107

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PUBLICLY-23118701

  • [Journal Article] Theory of Quadrupole Contributions from Interface and Bulk in Second-Order Optical Processes2012
    • Author(s)
      K. Shiratori, A. Morita
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 85 Issue: 10 Pages: 1061-1076

    • DOI

      10.1246/bcsj.20120167

    • NAID

      130004059041

    • ISSN
      0009-2673, 1348-0634
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Dynamics Study of Phase Transfer Catalyst for Ion Transfer through Water-Chloroform Interface2012
    • Author(s)
      Nobuaki Kikkawa, Tatsuya Ishiyama, and Akihiro Morita
    • Journal Title

      Chem. Phys. Lett.

      Volume: 534 Pages: 19-22

    • DOI

      10.1016/j.cplett.2012.03.027

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field2012
    • Author(s)
      Daiki Suzuoka, Hideaki Takahashi, Tatsuya Ishiyama, and Akihiro Morita
    • Journal Title

      Journal of Chemical Physics

      Volume: 137 Pages: 214503-214503

    • DOI

      10.1063/1.4769075

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003, KAKENHI-PUBLICLY-23118701

  • [Journal Article] Surface Structures of NaF and Na2SO4 Aqueous Solutions: Specific Effects of Hard Ions on Surface Vibrational Spectra2012
    • Author(s)
      T. Imamura, Y. Mizukoshi, T. Ishiyama, A. Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 116 Pages: 11082-11090

    • DOI

      10.1021/jp3019777

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Nonlinear Vibrational Spectroscopic Studies on the Ionic Liquid ([C_nmim]TFSA(n=4,8))/Water Interfaces2012
    • Author(s)
      Takashi Iwahashi, Yasunari Sakai, Doseok Kim, Tatsuya Ishiyama, Akihiro Morita, Yukio Ouchi
    • Journal Title

      Faraday Discuss.

      Volume: 154 Pages: 289-301

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution2012
    • Author(s)
      T. Kawaguchi, K. Shiratori, Y. Henmi, T. Ishiyama, A. Morita
    • Journal Title

      The Journal ofPhysical Chemistry C

      Volume: 116 Pages: 13169-13182

    • DOI

      10.1021/jp302684q

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Mass Accommodation Mechanism of Water through Monolayer Films at Water/Vapor Interface2012
    • Author(s)
      Suguru Sakaguchi and Akihiro Morita
    • Journal Title

      J. Chem. Phys.

      Volume: 137 Pages: 64701-64701

    • DOI

      10.1063/1.4740240

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Simple and Exact Approach to the Electronic Polarization Effect on the Solvation Free Energy: Formulation for Quantum-Mechanical2012
    • Author(s)
      H. Takahashi, A. Omi, A. Morita, and N. Matubayasi
    • Journal Title

      Journal of Chemical Physics

      Volume: 136 Pages: 214503-214503

    • DOI

      10.1063/1.4722347

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-21300111, KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23118701

  • [Journal Article] Nonlinear Vibrational Spectroscopic Studies on the Ionic Liquid([C_nmim]TFSA (n=4,8))/Water Interfaces2012
    • Author(s)
      T.Iwahashi
    • Journal Title

      Faraday Discuss

      Volume: 154 Pages: 289-301

    • DOI

      10.1039/c1fd00061f

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19105005, KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-23350005, KAKENHI-PROJECT-22750003

  • [Journal Article] Molecular Dynamics Simulations of Surface-Specific Bonding of the Hydrogen Network of Water: A Solution to the Low Sum-Frequency Spectra2012
    • Author(s)
      T. Ishiyama, H. Takahashi, A. Morita
    • Journal Title

      Physical Review B

      Volume: 86

    • DOI

      10.1103/physrevb.86.035408

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Interfacial Structures and Vibrational Spectra at Liquid/Liquid Boundaries: Molecular Dynamics Study of Water/Carbon Tetrachloride and Water/1,2-Dichloroethane Interfaces2012
    • Author(s)
      T. Ishiyama, Y. Sato, A. Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 116 Pages: 21439-21446

    • DOI

      10.1021/jp3073365

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Unified Molecular View of Air/Wat er Interface Based on Experimental and Theoretical X^<(2)> Spectra of Isotopically Diluted Water Surface2011
    • Author(s)
      S. NIHONYANAGI, T. ISHIYAMA, T. K. LEE, S. YAMAGUTHI, M. BONN, A. MORITA, T. TAHARA
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 133

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009

  • [Journal Article] Molecular Dynamics Simulation of Liquid Methanol.I.Molecular Modeling including C-H Vibration and Fermi Resonance2011
    • Author(s)
      Tatsuya Ishiyama, Vladimir V.Sokolov, Akihiro Morita
    • Journal Title

      J.Chem.Phys.

      Volume: 134

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Dynamics Simulation of Liquid Methanol.II.Unified Assignment of Infrared, Raman, and Sum Frequency Generation Vibrational Spectra in Methyl C-H Stretching Region2011
    • Author(s)
      Tatsuya Ishiyama, Vladimir V.Sokolov, Akihiro Morita
    • Journal Title

      J.Chem.Phys.

      Volume: 134

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Dynamics Simulation of Sum Frequency Generation Spectra of Aqueous Sulfuric Acid Solution2011
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita
    • Journal Title

      J.Phys.Chem.C

      Volume: 115/28 Pages: 13704-13716

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      Hideaki Takahashi, Kunihiro Maruyama, Yasuhito Karino, Akihiro Morita, Masayoshi Nakano, Pavel Jungwirth, Nobuyuki Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115/16 Pages: 4745-4751

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Unified Molecular View of Air/Water Interface Based on Experimental and Theoretical χ_(2) Spectra of Isotopically Diluted Water Surface2011
    • Author(s)
      Satoshi NIHONYANAGI, Tatsuya ISHIYAMA, Touk-Kwan LEE, Shoichi YAMAGUCHI, Mischa BONN, Akihiro MORITA, Tahei TAHARA
    • Journal Title

      The Journal of the American Chemical Society

      Volume: 133 Pages: 16875-16880

    • DOI

      10.1021/ja2053754

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009, KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Molecular Dynamics Simulation of Liquid Methanol. II. Unified Assignment of Infrared, Raman, and Sum Frequency Generation Vibrational Spectra in Methyl C-H Stretching Region2011
    • Author(s)
      T. Ishiyama, V. V. Sokolov, A. Morita
    • Journal Title

      J. Chem. Phys

      Volume: 134

    • DOI

      10.1063/1.3514146

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Dynamics Simulation of Liquid Methanol. I. Molecular Modeling including C-H Vibration and Fermi Resonance2011
    • Author(s)
      T. Ishiyama, V. V. Sokolov, A. Morita
    • Journal Title

      J. Chem. Phys

      Volume: 134

    • DOI

      10.1063/1.3514139

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Unified Molecular View of Air/Water Interface Based on Experimental and Theoretical X^<(2)> Spectra of Isotopically Diluted Water Surface2011
    • Author(s)
      Satoshi Nihonyanagi, Tatsuya Ishiyama, Touk-kwan Lee, Shoichi Yamaguchi, Mischa Bonn, Akihiro Morita, Tahei Tahara
    • Journal Title

      J.Am.Chem.Soc.

      Volume: 133/42 Pages: 16875-16880

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular dynamics simulation of sum frequency generation spectra of aqueous sulfuric acid solution2011
    • Author(s)
      T. Ishiyama, A. Morita
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 115 Pages: 13704-13716

    • DOI

      10.1021/jp200269k

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22750003

  • [Journal Article] Electric Quadrupole Contribution to the Nonresonant Background of Sum Frequency Generation at Air/Liquid Interfaces2011
    • Author(s)
      Shoichi Yamaguchi, Kazuya Shiratori, Akihiro Morita, Tahei Tahara
    • Journal Title

      J.Chem.Phys.

      Volume: 134 Pages: 184705-184711

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Electric quadrupole contribution to the nonresonant background of sum frequency generation at air/liquid interfaces2011
    • Author(s)
      S. YAMAGUCHI, K. SHIRATORI, A. MORITA, T. TAHARA
    • Journal Title

      J. Chem. Phys.

      Volume: 134 Pages: 184705-184705

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009

  • [Journal Article] Electric Quadrupole Contribution to the Nonresonant Background of Sum Frequency Generation at Air/Liquid Interfaces2011
    • Author(s)
      Shoichi YAMAGUCHI, Kazuya SHIRATORI, Akihiro MORITA, Tahei TAHARA
    • Journal Title

      J. Chem. Phys

      Volume: 134 Pages: 184705-184705

    • DOI

      10.1063/1.3586811

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009, KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-22350014

  • [Journal Article] Vibrational Spectrum at Water Surface : A Hybrid Quantum Mechanics/Molecular Mechanics Molecular Dynamics Approach2011
    • Author(s)
      Tatsuya Ishiyama, Hideaki Takahashi, Akihiro Morita
    • Journal Title

      J.Phys. : Condens.Matter

      Volume: 24 Pages: 124107-124113

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Theory on Dielectric Constant at Interfaces : A Molecular Dynamics Study of the Water/Vapor Interface2011
    • Author(s)
      Kazuya Shiratori, Akihiro Morita
    • Journal Title

      J.Chem.Phys.

      Volume: 134 Pages: 234705-234714

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Molecular Theory on Dielectric Constant at Interfaces : A Molecular Dynamics Study of the Water/Vapor Interface2011
    • Author(s)
      K. Shiratori, A. Morita
    • Journal Title

      J. Chem. Phys

      Volume: 134

    • DOI

      10.1063/1.3598484

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Surface Structure of Sulfuric Acid Solution Relevant to Sulfate Aerosol : Molecular Dynamics Simulation Combined with Sum Frequency Generation Measurement2011
    • Author(s)
      T. Ishiyama, A. Morita, T. Miyamae
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 13 Pages: 20965-20973

    • DOI

      10.1039/c1cp21920k

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-23550213, KAKENHI-PROJECT-22750003

  • [Journal Article] Surface Structure of Sulfuric Acid Solution Relevant to Sulfate Aerosol : Molecular Dynamics Simulation Combined with Sum Frequency Generation Measurement2011
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita, Takayuki Miyamae
    • Journal Title

      Phys.Chem.Chem.Phys.

      Volume: 13 Pages: 20965-20973

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Half hydration” at the air/water interface revealed by HD-ESFG spectroscopy, polarization SHG, and MD simulation2010
    • Author(s)
      H. WATANABE, S. YAMAGUCHI, S. SEN, A. MORITA, T. TAHARA
    • Journal Title

      J. Chem. Phys.

      Volume: 132

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009

  • [Journal Article] 'Half hydration' at the air/water interface revealed by HD-ESFG spectroscopy, polarization SHG, and MD simulation2010
    • Author(s)
      渡邊秀和、山口祥一、Sen Sobhan、森田明弘、田原太平
    • Journal Title

      J.Chem.Phys 132

      Pages: 144701-144709

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] Half-hydration" at the air/water interface revealed by heterodyne-detected electronic sum frequency generation spectroscopy, polarization second harmonic generation, and molecular dynamics simulation2010
    • Author(s)
      Hidekazu Watamabe, Shoichi Yamaguchi, Sobhan Sen, Akihiko Morita, Tahei Tahara
    • Journal Title

      J.Chem.Phys.

      Volume: 132

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009

  • [Journal Article] 'Half hydration' at the air/water interface revealed by HD-ESFG spect roscopy, polarization SHG, and MD simulation2010
    • Author(s)
      渡邊秀和、山口祥一、Sen Sobhan、森田明弘、田原太平
    • Journal Title

      J.Chem.Phys (発行予定)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] 'Half hydration' at the air/water interface revealed by HD-ESFG spectroscopy, polarization SHG, and MD simulation2010
    • Author(s)
      渡邊秀和、山口祥一、Sen Sobhan、森田明弘、田原太平
    • Journal Title

      J.Chem.Phys 132

      Pages: 144701-144709

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] 'Half Hydration' at the Air/Water Interface Revealed by HD-ESFG Spectroscopy, Polarization SHG, and MD Simulation2010
    • Author(s)
      H. Watanabe, S. Yamaguchi, S. Sen, A. Morita, T. Tahara
    • Journal Title

      J. Chem. Phys

      Volume: 132

    • DOI

      10.1063/1.3372620

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface2009
    • Author(s)
      T. Ishiyama, A. Morita
    • Journal Title

      J. Phys. Chem. C

      Volume: 113 Pages: 16299-16302

    • DOI

      10.1021/jp9060957

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Chem.Phys 131

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] 水の界面でイオンの織りなす構造---大気化学からホフマイスター系列まで2009
    • Author(s)
      森田明弘
    • Journal Title

      化学 6412月号

      Pages: 68-69

    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model2009
    • Author(s)
      T. Ishiyama, A. Morita
    • Journal Title

      J. Chem. Phys

      Volume: 131

    • DOI

      10.1063/1.3279126

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Chem.Phys 131

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] 水の界面でイオンの織りなす構造---大気化学からホフマイスター系列まで2009
    • Author(s)
      森田明弘
    • Journal Title

      化学 6412月号

      Pages: 68-69

    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] 水の界面でイオンの織りなす構造 --- 大気化学からホフマイスター系列まで2009
    • Author(s)
      森田 明弘
    • Journal Title

      化学

      Volume: 64(12月号) Pages: 68-69

    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Phys.Chem.C 131

      Pages: 16299-16302

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Chem.Phys 131

      Pages: 244714-17

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Journal Article] Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Phys.Chem.C 131

      Pages: 16299-16302

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] 水の界面でイオンの織りなす構造…大気化学からホフマイスター系列まで2009
    • Author(s)
      森田明弘
    • Journal Title

      化学 64 12月号

      Pages: 68-69

    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface2009
    • Author(s)
      森田明弘、石山達也
    • Journal Title

      J.Phys.Chem.C 131

      Pages: 16299-16302

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] First Acid Dissociation at Aqueous H2504 Interface with Sum Frequency Generation Spectroscopy2008
    • Author(s)
      T. Miyamae, A. Morita, Y. Ouchi
    • Journal Title

      Phys. Chem. Chem. Phys 10

      Pages: 2010-2013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] Molecular Theory of Mass Transfer Kinetics and Dynamics at Gas/Water Interface2008
    • Author(s)
      A. Morita, B.C. Garrett
    • Journal Title

      Flu. Dyn. Res 40

      Pages: 459-473

    • NAID

      10021168426

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] Recent Progress in Theoretical Analysis of Vibrational Sum Frequency Generation Spectroscopy2008
    • Author(s)
      A.Morita, T. Ishiyama
    • Journal Title

      Phys. Chem. Chem. Phys 10

      Pages: 5801-5816

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] Recent Progress in Theoretical Analysis of Vibrational Sum Frequency Generation Spectroscopy2008
    • Author(s)
      A. Morita, T. Ishiyama
    • Journal Title

      Phys. Chem. Chem. Phys 10

      Pages: 5801-5816

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] First Acid Dissociation at an Aqueous H_2SO_4 Interface with Sum Frequency Generation Spectroscopy2008
    • Author(s)
      T.Miyamae, A. Morita, Y. Ouchi
    • Journal Title

      Physical Chemistry Chemical Physics 10

      Pages: 2010-2013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19029043

  • [Journal Article] Molecular Theory of Mass Transfer Kinetics and Dynamics at Gas / Water Interface2008
    • Author(s)
      A. Morita, B. C. Garrett
    • Journal Title

      Flu. Dyn. Res 40

      Pages: 459-473

    • NAID

      10021168426

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20050003

  • [Journal Article] First Acid Dissociation at an Aqueous H2SO4 with Sum-Frequency Generation Spectroscopy2008
    • Author(s)
      T. Miyamae, A. Morita, and Y. Ouchi
    • Journal Title

      Phys Chem. Chem, Phys 10

      Pages: 2010-2013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18550025

  • [Journal Article] First Acid Dissociation at Aqueous H2SO4 Interface with Sum Frequency Generation Spectroscopy2008
    • Author(s)
      T. Miyamae, A. Morita, Y. Ouchi
    • Journal Title

      Phys. Chem. Chem. Phys 10

      Pages: 2010-2013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038003

  • [Journal Article] Molecular Dynamics Analysis of Interfacial Structures and Sum Frequency Generation Spectra of Aqueous Hydrogen Halide Solutions2007
    • Author(s)
      T. Ishiyama, A. Morita
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 9277-9285

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19029043

  • [Journal Article] Improved Computation of sum Frequency Generation Spectrum of Water Surface2006
    • Author(s)
      Akihiro Morita
    • Journal Title

      J. Phys. Chem.B 110/7

      Pages: 3158-3163

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Molecular Simulation of the Transport of Molecules across the Liquid/Vapor Interface of Water2006
    • Author(s)
      Bruce C.Garrett, Gregory K.Schenter, Akihiro Morita
    • Journal Title

      Chem.Rev. 106/4

      Pages: 1355-1374

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Molecular Simulation of the TransportofMolecules across the Liquid/Vapor Interface of Water2006
    • Author(s)
      Bruce C.Garrett, Gregory K.Schenter, Akihiro Morita
    • Journal Title

      Chem. Rev. 106/4

      Pages: 1355-1374

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Molecular Simulation of the Transport of Molecules across the Liquid/Vapor Interface of Water2006
    • Author(s)
      Bruce C.Garrett, Gregory K.Schenter, Akihiro Morita
    • Journal Title

      Chem.Rev. (in press)

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Improved Computation of Sum Frequency Generation Spectrum of Water Surface2006
    • Author(s)
      Akihiro Morita
    • Journal Title

      J.Phys.Chem.B 110/7

      Pages: 3158-3163

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Charge Response Kernel Theory based on Ab Initio and Density Functional Calculations2005
    • Author(s)
      Akihiro Morita, Tateki Ishida
    • Journal Title

      Lecture Series on Computer and Computatinal Sciences 4

      Pages: 663-666

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Electronic relaxation dynamics of Ni^<2+> ion aqueous solution : Molecular dynamics simulation2005
    • Author(s)
      Satoru Iuchi, Akihiro Morita, Shigeki Kato
    • Journal Title

      J.Chem.Phys. 123

      Pages: 24505-24505

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply to Comment on Mass Accommodation Coefficient of Water : Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment2005
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda, David R.Hanson
    • Journal Title

      J.Phys.Chem.B 109/30

      Pages: 14747-14749

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Charge Response Kernel Theory based on Ab Initio and Density Functional Calculations2005
    • Author(s)
      Akihiro Morita, Tateki Ishida
    • Journal Title

      Lecture Series on Computer and Computational Sciences 4

      Pages: 663-666

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Charge Response Kernel Theory based on Ab Initio and Density Functional Calculations2005
    • Author(s)
      Akihiro Morita, Takeki Ishida
    • Journal Title

      Lecture Series on Computer and Computational Sciences 4

      Pages: 663-666

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Electronic relaxation dynamics of Ni_2^+-ion aqueous solution : Molecular-dynamics simulation.2005
    • Author(s)
      S.Iuchi, A.Morita, S.Kato
    • Journal Title

      J.Chem.Phys. 123

    • Data Source
      KAKENHI-PROJECT-14GS0217

  • [Journal Article] Electronic relaxation dynamics of NiZ + ion aqueous solution : Moleeular dynamics simulation2005
    • Author(s)
      Satoru Iuchi, AkihiroMorita, Shigeki Kato
    • Journal Title

      J. Chem. Phys. 123

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply toComment on 'Mass Accommodation Coefficient of Water : Molecular Dynamicsics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment'2005
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda, David R. Hanson
    • Journal Title

      J. Phys. Chem.B 109/30

      Pages: 14747-14749

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply to "Comment on 'Mass Accommodation Coefficient of Water : Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment'"2005
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda, David R.Hanson
    • Journal Title

      J.Phys.Chem.B 109/30

      Pages: 14747-14749

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Mass Accommodation Coefficient of Water : Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment2004
    • Author(s)
      A.Morita, M.Sugiyama, H.Kameda, S.Koda, D.R.Hanson
    • Journal Title

      J.Phys.Chem.B 108/26

      Pages: 9111-9120

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Uptakeof the H0_2 Radical by Water : Molecular Dynamics CalculationsandTheir Implications to Atmospheric Modeling2004
    • Author(s)
      Akihiro Morita, Yugo Kanaya, Joseph S. Francisco
    • Journal Title

      J. Geophys. Res. 109/D9

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Mass Accommodation Coefficient of Water : Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment2004
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama Hirofumi Kameda, Seiichiro Koda, David R.Hanson
    • Journal Title

      J.Phys.Chem. B 108/26

      Pages: 9111-9120

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Potential Energy Surfaces and Dynamics of Ni^2^+ Ion Aqueous Solution : Molecular Dynamics Simulation of the Electronoc Absorption Spectrum2004
    • Author(s)
      Satoru Iuchi, Akihiro Morita, Shigeki Kato
    • Journal Title

      J. Chem. Phys 121/17

      Pages: 8446-8457

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Toward Computation of Bulk QuadruPolar Signals in Vibrational Sum Frequency Generation Spectroscopy2004
    • Author(s)
      Akihiro Morita
    • Journal Title

      Chem. Phys. Lett. 398/4・6

      Pages: 361-366

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply to Comment on 'Gas-Phase Flow and Diffusion Analysis of the Droplet Train/Flow Reactor Technique for the Mass Accommodation Processes'2004
    • Author(s)
      A.Morita, M.Sugiyama, S.Koda
    • Journal Title

      J.Phys.Chem.A 108/40

      Pages: 8544-8545

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Potential energy surfaces and dynamics of Ni2+ ion aqueous solution : Molecular dynamics simulation of the electronic absorption spectrum2004
    • Author(s)
      S.Iuchi, A.Morita, S.Kato
    • Journal Title

      J.Chem.Phys. 121

      Pages: 8446-8457

    • Data Source
      KAKENHI-PROJECT-14GS0217

  • [Journal Article] Potential Energy Surfaces and Dynamics of Ni^<2+> Ion Aqueous Solution : Molecular Dynamics Simulation of the Electronic Absorption Spectrum2004
    • Author(s)
      Satoru Iuchi, Akihiro Morita, Shigeki Kato
    • Journal Title

      J.Chem.Phys. 121/17

      Pages: 8446-8457

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Uptake of the HO_2 Radical by Water : Molecular Dynamics Calculations and Their Implications to Atmospheric Modeling2004
    • Author(s)
      Akihiro Morita, Yugo Kanaya, Joseph S.Francisco
    • Journal Title

      J.Geophys.Res. 109/D9

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Revised Kinetics in the Droplet Train Apparatus Due to a Wall Loss2004
    • Author(s)
      David R.Hanson, Masakazu Sugiyama, Akihiro Morita
    • Journal Title

      J.Phys.Chem. A 108/17

      Pages: 3739-3744

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply toIComment on 'Gas-Phase Flow and Diffusion Analysis of the Droplet Train/Flow Reactor Technique for the Mass Accommodation Process'2004
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda
    • Journal Title

      J.Phys. Chem. A 108/40

      Pages: 8544-8545

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Potential Energy Surfaces and Dynamics of Ni^<2+> Jon Aqueous Solution : Molecular Dynamics Simulation of the Electronic Absorption Spectrum2004
    • Author(s)
      Satoru Iuchi, Akihiro Morita, Shigeki Kato
    • Journal Title

      J.Chem.Phys. 121/17

      Pages: 8446-8457

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Mass Accommodation Coefficient ofwater : Molecular Dynamics Simulation and Revised Analysisof Droplet Train/Flow Reactor Experiment2004
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Hirofumi Kameda, Seiichiro Koda, David R. Hanson
    • Journal Title

      J.Phys. Chem. B 108/26

      Pages: 9111-9120

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Toward Computation of Bulk Quadrupolar Signals in Vibrational Sum Frequency Generation Sepctroscopy2004
    • Author(s)
      Akihiro Morita
    • Journal Title

      Chem.Phys.Lett. 398/4-6

      Pages: 361-366

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Reply to "Comment on 'Gas-Phase Flow and Diffusion Analysis of the Droplet Train/Flow Reactor Technique for the Mass Accommodation Processes'"2004
    • Author(s)
      Akihiro Morita, Masakazu Sugiyama, Seiichiro Koda
    • Journal Title

      J.Phys.Chem. A 108/40

      Pages: 8544-8545

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Uptake of the HO_2 Radical by Water : Molecular Dynamics Calculations and Their Implications to Atmospheric Modeling2004
    • Author(s)
      A.Morita, Y.Kanaya, J.S.Francisco
    • Journal Title

      J.Geophys.Res. 109/D9D09201doi:10.1029/2003JD004240

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Toward Computation of Bulk Quadrupolar Signals in Vibrational Sum Frequency Generation Spectroscopy2004
    • Author(s)
      Akihiro Morita
    • Journal Title

      Chem.Phys.Lett. 398/4-6

      Pages: 361-366

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Revised Kinetics in the Droplet Train Apparatus Due to a Wall Loss2004
    • Author(s)
      D.R.Hanson, S.Sugiyama, A.Morita
    • Journal Title

      J.Phys.Chem.A 108/17

      Pages: 3739-3744

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Revised Kinetics in the Droplet TrainApparatus Due to AWall Loss2004
    • Author(s)
      David R.Hanson, Masakazu Sugiyama, Akihiro Morita
    • Journal Title

      J. Phys. Chem.A 108/17

      Pages: 3739-3744

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Templating Effects on Mineralization of Layered Inorganic Compounds : (1)Density Functional Calculations of Formation of Single Layered Magnesium Hydroxide as a Brucite Model2003
    • Author(s)
      Hisako Sato, Akihiro Morita, Kanta Ono, Haruyuki Nakano, Noboru Wakabayashi, Akihiko Yamagishi
    • Journal Title

      Langmuir 19/17

      Pages: 7120-7126

    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Templating Effects on Mineralization of Layered Inorganic Compounds : (1) Density Functional calculations of Formation of Single Latered Magnesium Hydroxide as a Brucite Model2003
    • Author(s)
      Hisako Sato, Akihiro Morita, Kanta Ono, haruyuki Nakano, Noboru Wakabayashi, Akihiko Yamagishi
    • Journal Title

      Langmuir 19/17

      Pages: 7120-7126

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Molecular Dynamics Study of Mass Accommodation of Methanol at Liquid-Vapor Intergace of Methanol/Water Binary Solutions od Various Concentrations,2003
    • Author(s)
      Akihiro Morita
    • Journal Title

      Chem, Phys. Lett 375

      Pages: 1-8

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Molecular Dynamics Study of Mass Accommodation of Methanol at Liquid-Vapor Interface of Methanol/Water Binary Solutions of Various Concentrations2003
    • Author(s)
      Akihiro Morita
    • Journal Title

      Chem.Phys.Lett. 375

      Pages: 1-8

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Templating Effects on Mineralization of Layered Inorganic Compounds:(1)Density Functional Calculations of Formation of Single Layered Magnesium Hydroxide as a Brucite Model2003
    • Author(s)
      Hisako Sato, Akihiro Morita, Kanta Ono, Haruyuki Nakano, Noboru Wakabayashi, Akihiko Yamagishi
    • Journal Title

      Langmuir 19/17

      Pages: 7120-7126

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550012

  • [Journal Article] Half hydration" at the air/water interface revealed by HD-ESFG spectroscopy, polarization SHG, and MD simulation
    • Author(s)
      Hidekazu WATANABE, Shoichi YAMAGUCHI, Sobhan SEN, Akihiko MORITA, Tahei TAHARA
    • Journal Title

      J.Chem.Phys. (in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-19056009

  • [Presentation] Development of Qsac Program to Evaluate Whole SFG Susceptibility2020
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on "Nonlinear Optics at Interfaces"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Development of Qsac Program to Evaluate Whole SFG Susceptibility2020
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on "Nonlinear Optics at Interfaces", Web online
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-20H00368

  • [Presentation] 電子共鳴によるキラルSFGのバルク・界面成分の理論解析2020
    • Author(s)
      細谷 毅、王 琳、森田 明弘
    • Organizer
      分子科学会オンライン討論会
    • Data Source
      KAKENHI-PROJECT-20H00368

  • [Presentation] 電子共鳴によるキラルSFGのバルク・界面成分の理論解析2020
    • Author(s)
      細谷 毅、王 琳、森田 明弘
    • Organizer
      分子科学会オンライン討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 油水界面電子移動の多次元自由エネルギー計算による反応機構解析2019
    • Author(s)
      平野 智倫、森田 明弘
    • Organizer
      第33回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Development of grand canonical molecular dynamics method applied to solution interfaces2019
    • Author(s)
      N. Naito, A. Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 空気／陽・陰イオン性混合界面活性剤水溶液界面の水分子のHD-VSFG分光2019
    • Author(s)
      佐々木 伸一、奥野 将成、石山 達也、森田 明弘、石橋 孝章
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Mechanism of Ion Transport through Water-Oil Interface2019
    • Author(s)
      森田 明弘
    • Organizer
      分子研研究会"Water at Interfaces
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生分光におけるバルク四重極効果の汎用計算プログラムの開発2019
    • Author(s)
      森 渉、平野 智倫、王 琳、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Orientations of Water Molecules and Their Alkyl Chain Length Dependence at Air/Cationic Surfactant Solution Interfaces using HD-VSFG Spectroscopy2019
    • Author(s)
      S. Sasaki, M. Okuno, T. Ishiyama, A. Morita, T. Ishibashi
    • Organizer
      MANA International Symposium 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Effect of frequency-dependent fresnel factor on the lineshape of vibrational sum frequency generation spectroscopy2019
    • Author(s)
      L. Wang、S. Nihonyanagi、K. Inoue、K. Nishikawa、 A. Morita、S. Ye、T. Tahara
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Heterogeneity at Amorphous Silica/Water Interface: Molecular Dynamics Simulations of Sum Frequency Generation Spectroscopy2019
    • Author(s)
      T. Joutsuka, A. Morita
    • Organizer
      日本化学会第99春季年会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Heterogeneity at Amorphous Silica/Water Interface: Molecular Dynamics Simulations of Sum Frequency Generation Spectroscopy2019
    • Author(s)
      T. Joutsuka and A. Morita
    • Organizer
      日本化学会第99春季年会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる油水界面電子移動の反応経路解析2019
    • Author(s)
      平野 智倫 、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] HD-VSFG分光法による空気／陽・陰イオン性混合界面活性剤水溶液界面の水分子の配向の研究2019
    • Author(s)
      佐々木 伸一、奥野 将成、石山 達也、森田 明弘、石橋 孝章
    • Organizer
      第4回TIA光・量子計測シンポジウム
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] ジクロロメタンの分子モデル改良とその分子動力学シミュレーションにおけるパフォーマンス2019
    • Author(s)
      小泉 愛、伊藤 孟、平野 智倫、森田 明弘
    • Organizer
      第33回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 溶液界面に適用されるグランドカノニカル分子動力学法の開発2019
    • Author(s)
      内藤 暢也、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Effect of frequency-dependent fresnel factor on the lineshape of vibrational sum frequency generation spectroscopy2019
    • Author(s)
      L. Wang, S. Nihonyanagi, K. Inoue, K. Nishikawa, A. Morita, S. Ye, T. Tahara
    • Organizer
      International workshop on Nonlinear Optics at Interfaces 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液体界面の構造と機能を解明する計算分子科学2019
    • Author(s)
      森田 明弘
    • Organizer
      スーパーコンピューターワークショップ
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Dynamics and kinetics at liquid-liquid interfaces2019
    • Author(s)
      A. Morita
    • Organizer
      CPMD Meeting 2019
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Molecular dynamics simulation and sum frequency generation study on the structural order of langmuir monolayers2019
    • Author(s)
      L. Wang、A. Morita
    • Organizer
      The 5th International Conference on Molecular Simulation
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Orientations of Water Molecules and Their Alkyl Chain Length Dependence at Air/Catanionic Surfactant Solution Interfaces using HD-VSFG Spectroscopy2019
    • Author(s)
      S. Sasaki, M. Okuno, T. Ishiyama, A. Morita, T. Ishibashi
    • Organizer
      MANA International SYmposium 2019
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] ジメチルスルホキシド溶液/グラフェン電極界面における和周波発生分光と理論解析2019
    • Author(s)
      佐藤 大和、平野 智倫、王 琳、叶 深、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 分子シミュレーションと理論化学2019
    • Author(s)
      森田 明弘
    • Organizer
      第13回分子シミュレーションスクール -基礎から応用まで-
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Molecular dynamics analysis of catalytic effect on ion transport through liquid-liquid interface2019
    • Author(s)
      A. Morita
    • Organizer
      5th Computational Chemistry Symposium, ICCMSE2019
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Mechanism of Ion Transport through Water-Oil Interface2019
    • Author(s)
      森田明弘
    • Organizer
      分子研研究会 "Water at Interfaces 2018"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 和周波発生分光の理論と溶液界面の構造解明への応用2019
    • Author(s)
      森田 明弘
    • Organizer
      日本化学会青森地区講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Effect of fresnel dispersion in SFG spectroscopy2019
    • Author(s)
      A. Morita
    • Organizer
      The 2019 International Workshop on Nonlinear Optics at Interfaces
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theory and computational analysis of vibrational sum frequency generation spectroscopy2019
    • Author(s)
      A. Morita
    • Organizer
      Changchun Institute of Applied Chemistry
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theory and computational analysis of liquid interfaces and spectroscopy2019
    • Author(s)
      A. Morita
    • Organizer
      University of Cambridge
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液液界面のイオン輸送における標準速度定数の評価2019
    • Author(s)
      伊藤 孟、小泉 愛、平野 智倫、内藤 暢也、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theory and computational analysis of vibrational sum frequency generation spectroscopy2019
    • Author(s)
      A. Morita
    • Organizer
      Jilin Normal University
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Microscopic structure of electrode/electrolyte interface probed by molecular simulation and sum frequency generation spectroscopy2019
    • Author(s)
      L. Wang、S. Nihonyanagi、K. Inoue、K. Nishikawa、 A. Morita、S. Ye、T. Tahara
    • Organizer
      Workshop on Nonlinear Optics at Interfaces 2019
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 大規模QM/MM 法によるPSIIマンガンクラスターの酸化自由エネルギー解析2019
    • Author(s)
      高橋 英明、鈴岡 大樹、森田 明弘
    • Organizer
      日本コンピュータ化学会2019秋季年会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 油水界面における相間移動触媒の微視的研究2019
    • Author(s)
      小泉 愛、田原 寛文、平野 智倫、岸本 直樹、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Microscopic structure and dynamics at water-oil interfaces2019
    • Author(s)
      A. Morita
    • Organizer
      CECAM Workshop on "Dynamics of Water in Complex Environments, Bridging the Gap between Molecular and Mesoscopic Interfaces
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] QM/MM-ER法によるPSIIマンガンクラスターの光酸化の自由エネルギー解析2019
    • Author(s)
      高橋 英明、鈴岡 大樹、森田 明弘
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Ion transport mechanisms through liquid-liquid interfaces2019
    • Author(s)
      A. Morita
    • Organizer
      Gordon Research Conference on Chemistry and Physics of Liquids
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theory of χ(3) Effect in Sum Frequency Generation Spectroscopy2018
    • Author(s)
      A. Morita
    • Organizer
      8th SFG Symposium
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 分子シミュレーションによる気液界面の構造と反応の研究2018
    • Author(s)
      森田 明弘
    • Organizer
      「自然科学における階層と全体」シンポジウム
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液液界面における電子移動反応機構の多次元自由エネルギー計算2018
    • Author(s)
      平野 智倫、森田 明弘
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 分子動力学シミュレーションによるアクリレートポリマー/水界面の分子構造の解明2018
    • Author(s)
      岸中 翔、森田 明弘、石山 達也
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 実験と理論計算による溶液界面の分子科学の進展2018
    • Author(s)
      森田明弘
    • Organizer
      ワークショップ「複合系の理論化学・計算化学：最近の研究状況と展望」
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 拡張型QM/MM法の方法論開発とその応用2018
    • Author(s)
      高橋 英明、神戸 宏之、森田 明弘
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 油水界面における塩基触媒反応の理論研究2018
    • Author(s)
      小泉 愛、田原 寛文、平野 智倫、Wang Lingjian、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Structural Transition and Acceleration of H-D Exchange Reaction at Topmost Surface of Hexagonal Ice2018
    • Author(s)
      杉本 敏樹、大槻 友志、加藤 史明、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] コンピュータシミュレーションと理論化学2018
    • Author(s)
      森田 明弘
    • Organizer
      第12回分子シミュレーションスクール―基礎から応用まで―
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theory of χ(3) Effect in Sum Frequency Generation Spectroscopy2018
    • Author(s)
      A. Morita
    • Organizer
      8th SFG Symposium
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Ion Effects on Third-Order Susceptibility in Sum Frequency Generation Spectroscopy of Aqueous Salt Solutions2018
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 油水界面における電子移動反応機構の多次元自由エネルギー計算による理論的解析2018
    • Author(s)
      平野 智倫、Lingjian Wang 、田原 寛文、小泉 愛、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Detecting degree of structural order of Langmuir monolayers through molecular simulation analysis of sum frequency generation spectroscopy2018
    • Author(s)
      王 琳、森田 明弘
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液液界面でのイオン輸送におけるイオンペア形成効果の微視的解明2018
    • Author(s)
      田原 寛文、Wang Lingjian、平野 智倫、小泉 愛、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 拡張型QM/MM法の方法論開発とその性能評価2018
    • Author(s)
      髙橋 英明、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Microscopic Structure and Dynamics at Liquid-Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Melbourne-Tohoku Workshop: combining Materials Science and Chemistry
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アクリレートポリマー/水界面における分子構造と振動和周波スペクトルの分子動力学シミュレーション2018
    • Author(s)
      岸中 翔、森田 明弘、石山 達也
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子シミュレーションによる気液界面の構造と反応の研究2018
    • Author(s)
      森田 明弘
    • Organizer
      「自然科学における階層と全体」シンポジウム
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 拡張型QM/MM法の方法論開発とその性能評価2018
    • Author(s)
      髙橋 英明、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面でのイオン輸送におけるイオンペア形成効果の微視的解明2018
    • Author(s)
      田原 寛文、Lingjian Wang、平野 智倫、小泉 愛、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 溶液系の気液界面におけるグランドカノニカル分子動力学法の開発2018
    • Author(s)
      内藤 暢也、田原 寛文、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Recent Topics on Theoretical Analysis of Sum Frequency Generation Spectroscopy2018
    • Author(s)
      A. Morita
    • Organizer
      Gordon Research Conference on Vibrational Spectroscopy
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Identification of ordered and disordered Langmuir films through computational sum frequency generation spectroscopy2018
    • Author(s)
      王 琳、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 自由エネルギー計算による親水性イオンの界面間輸送プロセスにおける水和効果の究明2018
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 拡張型QM/MM法の方法論開発とその応用2018
    • Author(s)
      高橋 英明、神戸 宏之、森田 明弘
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 油水界面における塩基触媒反応の理論研究2018
    • Author(s)
      小泉 愛、田原 寛文、平野 智倫、Lingjian Wang、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] アクリレートポリマー/水界面における分子構造と振動和周波スペクトルの分子動力学シミュレーション2018
    • Author(s)
      岸中 翔、森田 明弘、石山 達也
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theoretical Analysis of Structure and Dynamics at Liquid-Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on "Hydrophobicity: From Theory, to Simulation, to Experiment"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液体界面の計算分子科学と分光計測2018
    • Author(s)
      森田明弘
    • Organizer
      第22回分子シミュレーション夏の学校
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] アルコール単分子膜/水溶液界面での酸解離に関する分子動力学シミュレーション2018
    • Author(s)
      吉田 俊将、城塚 達也、森田 明弘、石山 達也
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] アモルファスシリカ・水界面の分子動力学シミュレーション2018
    • Author(s)
      城塚 達也、小幡 恭子、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Identification of ordered and disordered Langmuir films through computational sum frequency generation spectroscopy2018
    • Author(s)
      王 琳、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液液界面における電子移動反応機構の多次元自由エネルギー計算2018
    • Author(s)
      平野 智倫、森田 明弘
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アモルファスシリカ・水界面の分子動力学シミュレーション2018
    • Author(s)
      城塚 達也、小幡 恭子、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによるアルコール単分子膜/水溶液界面での酸解離定数の決定2018
    • Author(s)
      吉田 俊将、森田 明弘、石山 達也
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 油水界面における電子移動反応機構の多次元自由エネルギー計算による理論的解析2018
    • Author(s)
      平野 智倫、Lingjian Wang、田原 寛文、小泉 愛、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 和周波発生分光におけるバルク四重極効果の検討2018
    • Author(s)
      森 渉、近藤 正人、奥野 将成、王 琳、石橋 孝章、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Molecular Dynamics Simulations of Amorphous Silica/Water Interfaces2018
    • Author(s)
      T. Joutsuka, K. Obata and A. Morita
    • Organizer
      EMLG/JMLG Meeting 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] QM/MM法による水表面における酢酸の酸性度の自由エネルギー解析2018
    • Author(s)
      高橋 英明、劉 斯璋、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Analysis of SFG Spectra of Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on "Nonlinear Optics at Interfaces"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Detecting degree of structural order of Langmuir monolayers through molecular simulation analysis of sum frequency generation spectroscopy2018
    • Author(s)
      王 琳、森田 明弘
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Ion Effects on Third-Order Susceptibility in Sum Frequency Generation Spectroscopy of Aqueous Salt Solutions2018
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによるアルコール単分子膜/水溶液界面での酸解離定数の決定2018
    • Author(s)
      吉田 俊将、森田 明弘、石山 達也
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theoretical Analysis on Mechanism of Electron Transfer at Oil/Water Interfaces by Multidimensional Free Energy Calculations2018
    • Author(s)
      T. Hirano, L.-J. Wang, H. Tahara, A. Koizumi, A. Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] コンピュータシミュレーションと理論化学2018
    • Author(s)
      森田明弘
    • Organizer
      第12回分子シミュレーションスクール～基礎から応用まで～
    • Invited
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 自由エネルギー計算による親水性イオンの界面間輸送プロセスにおける水和効果の究明2018
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Theoretical Analysis on Mechanism of Electron Transfer at Oil/Water Interfaces by Multidimensional Free Energy Calculations2018
    • Author(s)
      NT KHirano, L.-J. Wang, H. Tahara, A. Koizumi, and A. Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液系の気液界面におけるグランドカノニカル分子動力学法の開発2018
    • Author(s)
      内藤 暢也、田原 寛文、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theoretical Analysis of Structure and Dynamics at Liquid-Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on "Hydrophobicity: From Theory, to Simulation, to Experiment"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Analysis of SFG Spectra of Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on "Nonlinear Optics at Interfaces"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによるアクリレートポリマー/水界面の分子構造の解明2018
    • Author(s)
      岸中 翔、森田 明弘、石山 達也
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] 液体界面の計算分子科学と分光計測2018
    • Author(s)
      森田 明弘
    • Organizer
      第22回分子シミュレーション夏の学校
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 実験と理論計算による溶液界面の分子科学の進展2018
    • Author(s)
      森田 明弘
    • Organizer
      ワークショップ「複合系の理論化学・計算化学：最近の研究状況と展望」
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] HD-VSFG分光法による空気／陽・陰イオン性混合界面活性剤水溶液界面の水分子の配向の研究2018
    • Author(s)
      佐々木 伸一、奥野 将成、石山 達也、森田 明弘、石橋 孝章
    • Organizer
      第4回TIA光・量子計測シンポジウム
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Structural Transition and Acceleration of H-D Exchange Reaction at Topmost Surface of Hexagonal Ice2018
    • Author(s)
      杉本 敏樹、大槻 友志、加藤 史明、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波発生分光におけるバルク四重極効果の検討2018
    • Author(s)
      森 渉、近藤 正人、奥野 将成、王 琳、石橋 孝章、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Microscopic Structure and Dynamics at Liquid-Liquid Interfaces2018
    • Author(s)
      A. Morita
    • Organizer
      Melbourne-Tohoku Workshop: combining Materials Science and Chemistry
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H05265

  • [Presentation] Recent Topics on Theoretical Analysis of Sum Frequency Generation Spectroscopy2018
    • Author(s)
      A. Morita
    • Organizer
      Gordon Research Conference on Vibrational Spectroscopy
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Molecular Dynamics Simulations of Amorphous Silica/Water Interfaces2018
    • Author(s)
      T. Joutsuka, K. Obata and A. Morita
    • Organizer
      EMLG/JMLG Meeting 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法による水表面における酢酸の酸性度の自由エネルギー解析2018
    • Author(s)
      高橋 英明、劉 斯璋、森田 明弘
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アルコール単分子膜/水溶液界面での酸解離に関する分子動力学シミュレーション2018
    • Author(s)
      吉田 俊将、城塚 達也、森田 明弘、石山 達也
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法による水溶液中のATP加水分解反応の自由エネルギー解析2017
    • Author(s)
      高橋 英明、海野 悟、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液体界面の分子科学2017
    • Author(s)
      森田 明弘
    • Organizer
      お茶の水女子大学セミナー
    • Place of Presentation
      お茶の水女子大学 (東京都文京区）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] アルコール単分子膜/水溶液界面でのイオン分布2017
    • Author(s)
      吉田 俊将、森田 明弘、石山 達也
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アクリレートポリマー/水界面における水の水素結合構造2017
    • Author(s)
      岸中 翔、八十島 亘宏、森田 明弘、石山 達也
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Unified Assignment of Alkyl C-H Vibrational Spectra of Ethanol by Molecular Dynamics Simulation2017
    • Author(s)
      王 琳、石山 達也、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Theory of Ion Transport at Oil-Water Interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      13th International Conference of Computational Methods in Sciences and Engineering (ICCMSE2017)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Distribution of hydrated ion clusters near liquid-liquid interface2017
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 氷表面の分子動力学シミュレーション：フリーOH振動の和周波発生スペクトル強度と表面環構造との関係について2017
    • Author(s)
      石山 達也、大槻 友志、杉本 敏樹、森田 明弘、渡邉 一也、松本 吉泰
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Effect of Third-Order Susceptibility in Sum Frequency Generation Spectroscopy: Molecular Dynamics Study in Liquid Water2017
    • Author(s)
      Tatsuya Joutsuka, Tomonori Hirano, Michiel Sprik, Akihiro Morita
    • Organizer
      KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Structure and Reactivity at Aqueous Interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      3rd International Workshop on Heterogeneous Kinetics
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液液界面における Facilitated Ion Transfer の微視的機構2017
    • Author(s)
      田原 寛文、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 氷表面の分子動力学シミュレーション：フリーOH振動の和周波発生スペクトル強度と表面環構造との関係について2017
    • Author(s)
      石山 達也、大槻 友志、杉本 敏樹、森田 明弘、渡邉 一也、松本 吉泰
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる油水界面での電子移動機構の研究2017
    • Author(s)
      平野 智倫、杉林 敏大、田原 寛文、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] アクリレート系高分子と水界面の分子動力学シミュレーション2017
    • Author(s)
      岸中 翔、八十島 亘弘、森田 明弘、石山 達也
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 固液界面におけるイオン移動と振動差スペクトルの分子動力学シミュレーション2017
    • Author(s)
      城塚 達也、高瀬 航輝、森田 明弘
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Free Energy Analyses for the Hydrolysis of ATP in Water Solution Through Quantum Chemical Simulations2017
    • Author(s)
      Hideaki Takahashi, Satoru Umino, Akihiro Morita
    • Organizer
      1st International Symposium on Fuels and Energy
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Distribution of hydrated ion clusters near liquid-liquid interface2017
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アクリレート系高分子と水界面の分子動力学シミュレーション2017
    • Author(s)
      岸中 翔、八十島 亘弘、森田 明弘、石山 達也
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Effect of Third-Order Susceptibility in Sum Frequency Generation Spectroscopy: Molecular Dynamics Study in Liquid Water2017
    • Author(s)
      Tatsuya Joutsuka, Tomonori Hirano, Michiel Sprik, Akihiro Morita
    • Organizer
      KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Free Energy Analyses for the Hydrolysis of ATP in Water Solution Through Quantum Chemical Simulations2017
    • Author(s)
      Hideaki Takahashi, Satoru Umino, Akihiro Morita
    • Organizer
      1st International Symposium on Fuels and Energy
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面で起こるイオン輸送過程の水和状態に関する研究2017
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Structure and Reactivity at Aqueous Interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      3rd International Workshop on Heterogeneous Kinetics
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生分光法における三次感受率の効果： 水の分子動力学シミュレーションによる研究2017
    • Author(s)
      城塚 達也、平野 智倫、Michiel Sprik、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波発生分光法における三次の感受率の効果：水の分子動力学シミュレーションによる研究2017
    • Author(s)
      城塚 達也、平野 智倫、Michiel Sprik、森田 明弘
    • Organizer
      第20回理論化学討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Recent Topics in Theoretical Analysis of Sum Frequency Generation Spectroscopy2017
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference in China (TSRC2) on Nonlinear Optics at Interface
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Unified assignment method of alkyl C-H vibrational spectra: molecular dynamics study of ethanol2017
    • Author(s)
      Lin Wang, Tatsuya Ishiyama and Akihiro Morita
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液体界面の分子科学2017
    • Author(s)
      森田 明弘
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学 豊中キャンパス (大阪府豊中市)
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Unified assignment method of alkyl C-H vibrational spectra: molecular dynamics study of ethanol2017
    • Author(s)
      Lin Wang, Tatsuya Ishiyama and Akihiro Morita
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory and Efficient Computation of Difference Vibrational Spectroscopy2017
    • Author(s)
      Akihiro Morita
    • Organizer
      9th International Conference on Advanced Vibrational Spectroscopy (ICAVS2017)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theory of structure and functions of liquid and polymer interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theory and Efficient Computation of Difference Vibrational Spectroscopy2017
    • Author(s)
      Akihiro Morita
    • Organizer
      9th International Conference on Advanced Vibrational Spectroscopy (ICAVS2017)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Theory of Ion Transport at Oil-Water Interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      13th International Conference of Computational Methods in Sciences and Engineering (ICCMSE2017)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液体界面の分子科学2017
    • Author(s)
      森田 明弘
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学 豊中キャンパス (大阪府豊中市)
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アクリレートポリマー/水界面における水の水素結合構造2017
    • Author(s)
      岸中 翔、八十島 亘宏、森田 明弘、石山 達也
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Recent Topics in Theoretical Analysis of Sum Frequency Generation Spectroscopy2017
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference in China (TSRC2) on Nonlinear Optics at Interface
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory of structure and functions of liquid and polymer interfaces2017
    • Author(s)
      Akihiro Morita
    • Organizer
      KAKENHI International Symposium on "Studying the Function of Soft Molecular Systems"
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 実験と理論の協奏で拓く水表面の和周波分光研究の最先端2017
    • Author(s)
      森田 明弘、田原 太平
    • Organizer
      日本化学会第97春季年会シンポジウム「複雑系のための分子科学－理論、計測、合成の連携で拓く柔らかな分子の新機能」
    • Place of Presentation
      慶應義塾大学　日吉キャンパス (神奈川県横浜市）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Unified Assignment of Alkyl C-H Vibrational Spectra of Ethanol by Molecular Dynamics Simulation2017
    • Author(s)
      王 琳、石山 達也、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生分光法における三次感受率の効果： 水の分子動力学シミュレーションによる研究2017
    • Author(s)
      城塚 達也、平野 智倫、Michiel Sprik、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる油水界面での電子移動機構の研究2017
    • Author(s)
      平野 智倫、杉林 敏大、田原 寛文、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面で起こるイオン輸送過程の水和状態に関する研究2017
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面における Facilitated Ion Transfer の微視的機構2017
    • Author(s)
      田原 寛文、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] アルコール単分子膜/水溶液界面でのイオン分布2017
    • Author(s)
      吉田 俊将、森田 明弘、石山 達也
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波発生分光法における三次の感受率の効果：水の分子動力学シミュレーションによる研究2017
    • Author(s)
      城塚 達也、平野 智倫、Michiel Sprik、森田 明弘
    • Organizer
      第20回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液体界面の分子科学2017
    • Author(s)
      森田 明弘
    • Organizer
      お茶の水女子大学セミナー
    • Place of Presentation
      お茶の水女子大学 (東京都文京区）
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 氷表面における環構造の温度依存性2017
    • Author(s)
      石山 達也、森田 明弘
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法による水溶液中のATP加水分解反応の自由エネルギー解析2017
    • Author(s)
      高橋 英明、海野 悟、森田 明弘
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 固液界面におけるイオン移動と振動差スペクトルの分子動力学シミュレーション2017
    • Author(s)
      城塚 達也、高瀬 航輝、森田 明弘
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 氷表面における環構造の温度依存性2017
    • Author(s)
      石山 達也、森田 明弘
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy2016
    • Author(s)
      L. Wang and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生分光法における三次感受率の効果：水の分子動力学シミュレーションによる研究2016
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第4回公開シンポジウム
    • Place of Presentation
      名古屋工業大学４号館ホール （愛知県名古屋市）
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Heterodyne-detected sum frequency generation spectroscopy of ice surface2016
    • Author(s)
      Y. Otsuki, T. Sugimoto, T. Ishiyama, A. Morita, K. Watanabe, and Y. Matsumoto
    • Organizer
      第7回SFG研究会「和周波分光の進展」
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 空気/水界面における二次元和周波スペクトルの分子動力学計算2016
    • Author(s)
      石山 達也，森田 明弘
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス （東京都新宿区）
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] IV-SFG and Molecular Dynamics Simulation Studies on Liquid/liquid2016
    • Author(s)
      岩橋崇、石山達也、森田明弘、Kim Doseok、大内幸雄
    • Organizer
      7th SFG workshop
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2016-06-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26248004

  • [Presentation] Ion Transport Mechanism at Liquid-Liquid Interface2016
    • Author(s)
      N. Kikkawa, L.-J. Wang, and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy2016
    • Author(s)
      L. Wang and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis of SFG Spectroscopy --- Recent Topics2016
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on Nonlinear Optics at Interfaces
    • Place of Presentation
      Telluride, CO, USA
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液・高分子系界面の構造および機能の理論解析2016
    • Author(s)
      森田明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第4回公開シンポジウム
    • Place of Presentation
      名古屋工業大学４号館ホール （愛知県名古屋市）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 油水界面における電子移動反応の分子シミュレーションによる探求2016
    • Author(s)
      杉林 敏大、L.-J. Wang、吉川 信明、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる双性イオンリン脂質膜近傍における水の水素結合構造と振動分光解析2016
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場 （兵庫県神戸市）
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面のイオン輸送における水和と蒸発の効果2016
    • Author(s)
      L.-J. Wang、吉川 信明、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 理論と実験の協力による溶液界面化学の研究2016
    • Author(s)
      森田 明弘
    • Organizer
      名古屋大学セミナー
    • Place of Presentation
      名古屋大学 （愛知県名古屋市）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法による光化学系IIのMnクラスターにおける一電子酸化反応の自由エネルギー解析2016
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス シグマホール (大阪府豊中市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Computational SFG analysis of organic molecules2016
    • Author(s)
      L. Wang and A. Morita
    • Organizer
      第7回SFG研究会「和周波分光の進展」
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法による光化学系IIのMnクラスターにおける一電子酸化反応の自由エネルギー解析2016
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス シグマホール (大阪府豊中市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Computational Analysis of Sum Frequency Generation Spectroscopy2016
    • Author(s)
      A. Morita
    • Organizer
      invited lecture at Fudan University
    • Place of Presentation
      Shanghai, China
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Rh(111)上の常誘電氷表面の和周波発生振動分光2016
    • Author(s)
      大槻 友志、杉本 敏樹、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      第14回京都大学低温物質科学研究センター講演会・研究交流会
    • Place of Presentation
      京都大学百周年時計台記念館 国際交流ホールII、III （京都府京都市）
    • Year and Date
      2016-02-19
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure and Uptake Kinetics at Aqueous Solution Surfaces2016
    • Author(s)
      Akihiro. Morita and Tatsuya Ishiyama
    • Organizer
      251st ACS National Meeting, Symposium on "Physical Chemistry of Complex Environmental Interfaces,"
    • Place of Presentation
      San Diego, CA, USA
    • Year and Date
      2016-03-13
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Computational SFG analysis of organic molecules2016
    • Author(s)
      L. Wang and A. Morita
    • Organizer
      第7回SFG研究会「和周波分光の進展」
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 加藤先生から学んだ理論化学とその発展2016
    • Author(s)
      森田 明弘
    • Organizer
      第5回研究会「化学反応のポテンシャル曲面とダイナミックス」
    • Place of Presentation
      京都大学理学研究科セミナーハウス （京都府京都市）
    • Year and Date
      2016-03-28
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Computational Analysis of Sum Frequency Generation Spectroscopy2016
    • Author(s)
      A. Morita
    • Organizer
      invited lecture at Fudan University
    • Place of Presentation
      Shanghai, China
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theoretical Analysis of SFG Spectroscopy --- Recent Topics2016
    • Author(s)
      A. Morita
    • Organizer
      Telluride Science Research Conference on Nonlinear Optics at Interfaces
    • Place of Presentation
      Telluride, CO, USA
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 水/アセトニトリル溶液の界面配向構造解析に関する理論的および実験的研究2016
    • Author(s)
      齋藤 健吾、王 琳、城塚 達也、石山 達也、彭 奇齢、叶 深、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] MD計算とSFG分光による有機カーボネート表面構造の研究2016
    • Author(s)
      王 琳、彭 奇齢、叶 深、森田 明弘
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス （東京都新宿区）
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 加藤先生から学んだ理論化学とその発展2016
    • Author(s)
      森田 明弘
    • Organizer
      第5回研究会「化学反応のポテンシャル曲面とダイナミックス」
    • Place of Presentation
      京都大学理学研究科セミナーハウス （京都府京都市）
    • Year and Date
      2016-03-28
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる温度・圧力制御下での振動差スペクトルの効率的な計算手法と水への応用2016
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス シグマホール (大阪府豊中市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 実空間DFTにおけるハイブリッド汎関数の実装とその応用2016
    • Author(s)
      高橋 英明、神戸 宏之、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 温度・圧力制御下での振動差スペクトルの効率的な計算アルゴリズム2016
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Ion Transport Mechanism at Liquid-Liquid Interface2016
    • Author(s)
      N. Kikkawa, L.-J. Wang, and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる温度・圧力制御下での振動差スペクトルの効率的な計算手法と水への応用2016
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス シグマホール (大阪府豊中市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 理論と実験の協力による溶液界面化学の研究2016
    • Author(s)
      森田 明弘
    • Organizer
      名古屋大学セミナー
    • Place of Presentation
      名古屋大学 （愛知県名古屋市）
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 温度・圧力制御下での振動差スペクトルの効率的な計算アルゴリズム2016
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Recent Development of Computational Analysis on Vibrational Sum Frequency Generation Spectroscopy2016
    • Author(s)
      Akihiro Morita
    • Organizer
      CECAM Workshop "Liquid/Solid Interfaces: Structure and dynamics from spectroscopy and simulations - 3rd Edition"
    • Place of Presentation
      Lausanne, Switzerland
    • Year and Date
      2016-01-25
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] MD計算とSFG分光による有機カーボネート表面構造の研究2016
    • Author(s)
      王 琳、彭 奇齢、叶 深、森田 明弘
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス （東京都新宿区）
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Simulation of Time-Resolved Vibrational Spectroscopy at Air/Water Interface2016
    • Author(s)
      T. Ishiyama and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Comparison of Hydrogen Bonding Structure of Water near Lipid and Surfactant Monolayer Interfaces by Molecular Dynamics Simulation2016
    • Author(s)
      D. Terada, T. Ishiyama, and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 赤外-可視和周波発生振動分光法と分子動力学計算を用いたイオン液体/アルコール界面構造の研究2016
    • Author(s)
      岩橋崇、石山達也、森田明弘、Kim Doseok、大内幸雄
    • Organizer
      第7回イオン液体討論会
    • Place of Presentation
      金沢市文化ホール
    • Year and Date
      2016-10-24
    • Data Source
      KAKENHI-PROJECT-26248004

  • [Presentation] 異なる双性イオン膜/水界面における水の水素結合構造比較2016
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 赤外-可視和周波発生振動分光法と分子動力学計算を用いたイオン液体/アルコール界面構造の研究2016
    • Author(s)
      岩橋 崇、石山 達也、森田 明弘、Kim Doseok、大内 幸雄
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 異なる双性イオン膜/水界面における水の水素結合構造比較2016
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液体界面を見る分子科学の進歩2016
    • Author(s)
      森田 明弘
    • Organizer
      第3回森野ディスカッション
    • Place of Presentation
      東京大学理学部・本郷キャンパス・小柴ホール （東京都文京区）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 空気/水界面における二次元和周波スペクトルの分子動力学計算2016
    • Author(s)
      石山 達也，森田 明弘
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス （東京都新宿区）
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 溶液界面のプローブ手法と分子シミュレーション2016
    • Author(s)
      森田 明弘
    • Organizer
      第28回液体の化学夏の学校
    • Place of Presentation
      大学セミナーハウス (東京都八王子市)
    • Year and Date
      2016-08-29
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Efficient Computational Algorithm of Vibrational Difference Spectra under Control of Temperature and Pressure2016
    • Author(s)
      T. Joutsuka and A. Morita
    • Organizer
      International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)
    • Place of Presentation
      Nagoya, Japan
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Recent Development of Computational Analysis on Vibrational Sum Frequency Generation Spectroscopy2016
    • Author(s)
      Akihiro Morita
    • Organizer
      CECAM Workshop "Liquid/Solid Interfaces: Structure and dynamics from spectroscopy and simulations - 3rd Edition"
    • Place of Presentation
      Lausanne, Switzerland
    • Year and Date
      2016-01-25
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure and Uptake Kinetics at Aqueous Solution Surfaces2016
    • Author(s)
      Akihiro. Morita and Tatsuya Ishiyama
    • Organizer
      251st ACS National Meeting, Symposium on "Physical Chemistry of Complex Environmental Interfaces,"
    • Place of Presentation
      San Diego, CA, USA
    • Year and Date
      2016-03-13
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面のイオン輸送における水和と蒸発の効果2016
    • Author(s)
      L.-J. Wang、吉川 信明、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Comparison of Hydrogen Bonding Structure of Water near Lipid and Surfactant Monolayer Interfaces by Molecular Dynamics Simulation2016
    • Author(s)
      D. Terada, T. Ishiyama, and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Rh(111)上の常誘電氷表面の和周波発生振動分光2016
    • Author(s)
      大槻 友志、杉本 敏樹、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      第14回京都大学低温物質科学研究センター講演会・研究交流会
    • Place of Presentation
      京都大学百周年時計台記念館 国際交流ホールII、III （京都府京都市）
    • Year and Date
      2016-02-19
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Heterodyne-detected sum frequency generation spectroscopy of ice surface2016
    • Author(s)
      Y. Otsuki, T. Sugimoto, T. Ishiyama, A. Morita, K. Watanabe, and Y. Matsumoto
    • Organizer
      第7回SFG研究会「和周波分光の進展」
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生振動分光による結晶氷表面の水素結合構造の解明2016
    • Author(s)
      杉本 敏樹、大槻 友志、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure and Uptake Kinetics at Aqueous Surfaces2016
    • Author(s)
      A. Morita
    • Organizer
      2nd International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols
    • Place of Presentation
      Tsukuba, Japan
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液体界面を見る分子科学の進歩2016
    • Author(s)
      森田 明弘
    • Organizer
      第3回森野ディスカッション
    • Place of Presentation
      東京大学理学部・本郷キャンパス・小柴ホール （東京都文京区）
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液界面のプローブ手法と分子シミュレーション2016
    • Author(s)
      森田 明弘
    • Organizer
      第28回液体の化学夏の学校
    • Place of Presentation
      大学セミナーハウス (東京都八王子市)
    • Year and Date
      2016-08-29
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波発生振動分光による結晶氷表面の水素結合構造の解明2016
    • Author(s)
      杉本 敏樹、大槻 友志、石山 達也、森田 明弘、渡邊 一也、松本 吉泰
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Efficient Computational Algorithm of Vibrational Difference Spectra under Control of Temperature and Pressure2016
    • Author(s)
      T. Joutsuka and A. Morita
    • Organizer
      International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016)
    • Place of Presentation
      Nagoya, Japan
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure and Uptake Kinetics at Aqueous Surfaces2016
    • Author(s)
      A. Morita
    • Organizer
      2nd International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols
    • Place of Presentation
      Tsukuba, Japan
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる双性イオンリン脂質膜近傍における水の水素結合構造と振動分光解析2016
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場 （兵庫県神戸市）
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 赤外-可視和周波発生振動分光法と分子動力学計算を用いたイオン液体/アルコール界面構造の研究2016
    • Author(s)
      岩橋崇、石山達也、森田明弘、Kim Doseok、大内幸雄
    • Organizer
      第10回分子科学討論会2016
    • Place of Presentation
      神戸ファッションマート
    • Year and Date
      2016-09-13
    • Data Source
      KAKENHI-PROJECT-26248004

  • [Presentation] Molecular Dynamics Simulation of Time-Resolved Vibrational Spectroscopy at Air/Water Interface2016
    • Author(s)
      T. Ishiyama and A. Morita
    • Organizer
      4th International Conference on Molecular Simulation (ICMS2016)
    • Place of Presentation
      Shanghai, China
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 水/アセトニトリル溶液の界面配向構造解析に関する理論的および実験的研究2016
    • Author(s)
      齋藤 健吾、王 琳、城塚 達也、石山 達也、彭 奇齢、叶 深、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 実空間DFTにおけるハイブリッド汎関数の実装とその応用2016
    • Author(s)
      高橋 英明、神戸 宏之、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 油水界面における電子移動反応の分子シミュレーションによる探求2016
    • Author(s)
      杉林 敏大、L.-J. Wang、吉川 信明、森田 明弘
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 赤外-可視和周波発生振動分光法と分子動力学計算を用いたイオン液体/アルコール界面構造の研究2016
    • Author(s)
      岩橋 崇、石山 達也、森田 明弘、Kim Doseok、大内 幸雄
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート (兵庫県神戸市)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Study of Heterogeneous Kinetics and Reactions2015
    • Author(s)
      Akihiro Morita
    • Organizer
      International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols
    • Place of Presentation
      Beijing, China
    • Year and Date
      2015-08-10
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法による溶質分子の電子密度揺らぎにおける軌道間の相関の解析2015
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 静的相関をシミュレートする電子交換汎関数の開発と実装2015
    • Author(s)
      高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Two-Dimensional Sum Frequency Generation Spectra at Vapor/Water Interface: Molecular Dynamics Simulation Study2015
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita, and Tahei.Tahara
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Vibrational Spectroscopic Study of Lipid/Water Interface by Molecular Dynamics Simulation2015
    • Author(s)
      Tatsuya Ishiyama, Daichi Terada, and Akihiro Morita
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory and efficient computation of vibrational difference spectra2015
    • Author(s)
      Tatsuya Joutsuka, Akihiro Morita
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第61回ポーラログラフィーおよび電気分析化学討論会
    • Place of Presentation
      イーグレひめじ （兵庫県姫路市）
    • Year and Date
      2015-11-24
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる生体膜/水界面の構造と振動スペクトル解析2015
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      平成27年度日本化学会近畿支部北陸地区講演会
    • Place of Presentation
      金沢大学角間キャンパス （石川県金沢市）
    • Year and Date
      2015-11-27
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Distribution of Hydrated Ion Clusters Transported through Water-Oil Interface2015
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法における交換反発ポテンシャルの構築とQM/MM-ER法への応用2015
    • Author(s)
      海野 悟、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Free energy analysis of hydration of benzene -- Role of OH/π interaction in solvation --2015
    • Author(s)
      Hideaki Takahashi, Daiki Suzuoka, and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM法における交換反発ポテンシャルの構築とQM/MM-ER法への応用2015
    • Author(s)
      海野 悟、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 水/アセトニトリル溶液の界面配向構造と非線形分極の理論研究2015
    • Author(s)
      齋藤 健吾、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第38回溶液化学シンポジウム
    • Place of Presentation
      高知市文化プラザかるぽーと （高知県高知市）
    • Year and Date
      2015-10-22
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 溶液中の振動差スペクトルの効率的な計算方法2015
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Computational Analysis of Surface Nonlinear Spectroscopy2015
    • Author(s)
      Akihiro Morita
    • Organizer
      4th Annual World Congress of Advanced Materials-2015 (WCAM-2015)
    • Place of Presentation
      Chongqing, China
    • Year and Date
      2015-05-28
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第38回溶液化学シンポジウム
    • Place of Presentation
      高知市文化プラザかるぽーと （高知県高知市）
    • Year and Date
      2015-10-22
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面付近の水和イオンクラスター分布2015
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-17
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる生体膜/水界面の構造と振動スペクトル解析2015
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      平成27年度日本化学会近畿支部北陸地区講演会
    • Place of Presentation
      金沢大学角間キャンパス （石川県金沢市）
    • Year and Date
      2015-11-27
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面和周波発生分光の理論と分子シミュレーション2015
    • Author(s)
      森田 明弘
    • Organizer
      日本分光学会・界面部会シンポジウム
    • Place of Presentation
      東北大学・青葉山キャンパス（宮城県・仙台市）
    • Year and Date
      2015-03-06
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis on the Methods to Derive Surface Molecular Orientation by Sum Frequency Generation Spectroscopy,2015
    • Author(s)
      Akihiro Morita, Takashi. Ishihara, Kengo Saito, Tatsuya Ishiyama, Lin Wang
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液体界面の計算分子科学2015
    • Author(s)
      森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Study of Ion Transport through Liquid Interfaces by using Molecular Dynamics Simulation2015
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面における構造と変角振動スペクトルの分子動力学研究2015
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-17
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Computational Analysis of Surface Nonlinear Spectroscopy2015
    • Author(s)
      Akihiro Morita
    • Organizer
      4th Annual World Congress of Advanced Materials-2015 (WCAM-2015)
    • Place of Presentation
      Chongqing, China
    • Year and Date
      2015-05-28
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Simulation of Ion transports through Liquid-Liquid Interface2015
    • Author(s)
      Nobuaki Kikkawa, Lingjan Wang, Akihiro Morita
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theoretical Analysis of Multi-scale Mass Transfer Kinetics in Droplet Flows2015
    • Author(s)
      Akihiro Morita
    • Organizer
      EMN Droplets Meeting 2015
    • Place of Presentation
      Phuket, Thailand
    • Year and Date
      2015-05-10
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical analysis on structure and function of solution and polymer interfaces2015
    • Author(s)
      Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-09
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 静的相関をシミュレートする電子交換汎関数の開発と実装2015
    • Author(s)
      高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 界面和周波発生分光の理論と分子シミュレーション2015
    • Author(s)
      森田 明弘
    • Organizer
      日本分光学会・界面部会シンポジウム
    • Place of Presentation
      東北大学・青葉山キャンパス（宮城県・仙台市）
    • Year and Date
      2015-03-06
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-19
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Two-Dimensional Sum Frequency Generation Spectra at Vapor/Water Interface: Molecular Dynamics Simulation Study2015
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita, and Tahei.Tahara
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Free energy analysis of hydration of benzene -- Role of OH/π interaction in solvation --2015
    • Author(s)
      Hideaki Takahashi, Daiki Suzuoka, and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液体界面の計算分子科学2015
    • Author(s)
      森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Recent Computational Studies on Surface Vibrations and Sum Frequency Generation Spectroscopy2015
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on Vibrational Dynamics
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2015-07-29
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Recent computational analysis of sum frequency generation spectroscopy.2015
    • Author(s)
      Akihiro Morita
    • Organizer
      Carnegie Mellon University
    • Place of Presentation
      Pittsburgh, PA, USA
    • Year and Date
      2015-03-27
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Analyses of the Solvation Free Energies due to Electron Density Fluctuation using QM/MM Method Combined with a Theory of Solutions2015
    • Author(s)
      Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 赤外-可視和周波発生振動分光法を用いたイオン液体/分子性液体界面構造の研究2015
    • Author(s)
      岩橋 崇、石山 達也、酒井 康成、森田 明弘、Kim Doseok、大内 幸雄
    • Organizer
      第6回イオン液体討論会
    • Place of Presentation
      同志社大学・今出川キャンパス
    • Year and Date
      2015-10-26
    • Data Source
      KAKENHI-PROJECT-26248004

  • [Presentation] 液液界面付近の水和イオンクラスター分布2015
    • Author(s)
      Lingjian Wang、吉川 信明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-17
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Distribution of Hydrated Ion Clusters Transported through Water-Oil Interface2015
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる生体膜/水界面の構造と振動スペクトル解析2015
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis of Multi-scale Mass Transfer Kinetics in Droplet Flows2015
    • Author(s)
      Akihiro Morita
    • Organizer
      EMN Droplets Meeting 2015
    • Place of Presentation
      Phuket, Thailand
    • Year and Date
      2015-05-10
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析、及び、拡張系の方法を用いた電位差一定のアンサンブルの実現2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学(MD)シミュレーションによる生体膜/水界面の振動スペクトルと水素結合構造2015
    • Author(s)
      寺田大地、石山達也、森田明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液界面の分子シミュレーション研究2015
    • Author(s)
      森田 明弘
    • Organizer
      スーパーコンピューターワークショップ2015「様々な対象に応用される計算分子科学」
    • Place of Presentation
      自然科学研究機構　岡崎コンファレンスセンター（愛知県・岡崎市）
    • Year and Date
      2015-01-30
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Recent Computational Studies on Surface Vibrations and Sum Frequency Generation Spectroscopy2015
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on Vibrational Dynamics
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2015-07-29
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面SFG分光の理論計算2015
    • Author(s)
      森田 明弘
    • Organizer
      東京工業大学 資源化学研究所講演会
    • Place of Presentation
      東京工業大学 資源化学研究所（神奈川県・横浜）
    • Year and Date
      2015-01-19
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 第一溶媒和殻をQM領域とするQM/MM法と溶液論の結合による溶媒和自由エネルギーの計算2015
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy2015
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, and Akihiro Morita
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションによる空気／水界面の二次元和周波スペクトル計算2015
    • Author(s)
      石山 達也、森田 明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theory and efficient computation of vibrational difference spectra in water2015
    • Author(s)
      Tatsuya Joutsuka and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Molecular dynamics simulation study of two-dimensional heterodyne detected sum frequency generation spectra at vapor/water interface2015
    • Author(s)
      Tatsuya Ishiyama, Tahei Tahara, and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular dynamics simulation study of two-dimensional heterodyne detected sum frequency generation spectra at vapor/water interface2015
    • Author(s)
      Tatsuya Ishiyama, Tahei Tahara, and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Molecular Dynamics Simulation of Ion transports through Liquid-Liquid Interface2015
    • Author(s)
      Nobuaki Kikkawa, Lingjan Wang, Akihiro Morita
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis of Sum Frequency Spectra and Microscopic Ion Transport at Liquid-Liquid Interfaces2015
    • Author(s)
      Akihiro Morita
    • Organizer
      48th Heyrovsky Discussion on "Progress in Electrochemistry at Liquid-Liquid Interfaces and Liquid Membranes"
    • Place of Presentation
      Trest, Czech Republic
    • Year and Date
      2015-06-18
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface2015
    • Author(s)
      Akihiro Morita
    • Organizer
      5th Campus Asia Symposium
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2015-11-05
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Computational SFG analysis of organic liquid surfaces2015
    • Author(s)
      Akihiro Morita, Lin Wang, and Tatsuya Ishiyama
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theory and efficient computation of vibrational difference spectra in water, International Symposium on Soft Molecular Systems2015
    • Author(s)
      Tatsuya Joutsuka and Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-11
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Analyses of the Solvation Free Energies due to Electron Density Fluctuation using QM/MM Method Combined with a Theory of Solutions2015
    • Author(s)
      Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液中の振動差スペクトルの効率的な計算方法2015
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる空気／水界面の二次元和周波スペクトル計算2015
    • Author(s)
      石山 達也、森田 明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Collaborative molecular dynamics and SFG study on the interface of organic carbonate liquids2015
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, Akihiro Morita
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液界面の分子シミュレーション研究2015
    • Author(s)
      森田 明弘
    • Organizer
      スーパーコンピューターワークショップ2015「様々な対象に応用される計算分子科学」
    • Place of Presentation
      自然科学研究機構　岡崎コンファレンスセンター（愛知県・岡崎市）
    • Year and Date
      2015-01-30
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションによる生体膜/水界面の構造と振動スペクトル解析2015
    • Author(s)
      寺田 大地、石山 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM法による溶質分子の電子密度揺らぎにおける軌道間の相関の解析2015
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析、及び、拡張系の方法を用いた電位差一定のアンサンブルの実現2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面における構造と変角振動スペクトルの分子動力学研究2015
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-17
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 第一溶媒和殻をQM領域とするQM/MM法と溶液論の結合による溶媒和自由エネルギーの計算2015
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Vibrational Spectroscopic Study of Lipid/Water Interface by Molecular Dynamics Simulation2015
    • Author(s)
      Tatsuya Ishiyama, Daichi Terada, and Akihiro Morita
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface2015
    • Author(s)
      Akihiro Morita
    • Organizer
      5th Campus Asia Symposium
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2015-10-05
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 不均一反応での理論化学の役割2015
    • Author(s)
      森田 明弘
    • Organizer
      名大太陽研ワークショップ「日本における地球大気化学の将来検討会～不均一反応研究の現状と今後～」
    • Place of Presentation
      ホテルKKR（静岡県・熱海市）
    • Year and Date
      2015-01-17
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学(MD)シミュレーションによる生体膜/水界面の振動スペクトルと水素結合構造2015
    • Author(s)
      寺田大地、石山達也、森田明弘
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-19
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Theoretical analysis on structure and function of solution and polymer interfaces2015
    • Author(s)
      Akihiro Morita
    • Organizer
      International Symposium on Soft Molecular Systems
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2015-07-09
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波分光解析プログラムCalnosの開発・高速化と水/メタノール混合溶液の気液界面への応用2015
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第8回6専攻合同シンポジウム
    • Place of Presentation
      東北大学青葉山キャンパス（宮城県・仙台市）
    • Year and Date
      2015-02-20
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Role of Water Fingering in Ion Transport through Oil-Water Interface2015
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Computational SFG analysis of organic liquid surfaces2015
    • Author(s)
      Akihiro Morita, Lin Wang, and Tatsuya Ishiyama
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Role of Water Fingering in Ion Transport through Oil-Water Interface2015
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Organizer
      Pacifichem 2015, Symposium on "Recent Experimental and Theoretical Advances in Studies of Liquid Interfaces"
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Study of Ion Transport through Liquid Interfaces by using Molecular Dynamics Simulation2015
    • Author(s)
      Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2015
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2015-08-27
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis of Sum Frequency Spectra and Microscopic Ion Transport at Liquid-Liquid Interfaces2015
    • Author(s)
      Akihiro Morita
    • Organizer
      48th Heyrovsky Discussion on "Progress in Electrochemistry at Liquid-Liquid Interfaces and Liquid Membranes"
    • Place of Presentation
      Trest, Czech Republic
    • Year and Date
      2015-06-18
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 界面SFG分光の理論計算2015
    • Author(s)
      森田 明弘
    • Organizer
      東京工業大学 資源化学研究所講演会
    • Place of Presentation
      東京工業大学 資源化学研究所（神奈川県・横浜）
    • Year and Date
      2015-01-19
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Study of Heterogeneous Kinetics and Reactions2015
    • Author(s)
      Akihiro Morita
    • Organizer
      International Workshop on Heterogeneous Kinetics Related to Atmospheric Aerosols
    • Place of Presentation
      Beijing, China
    • Year and Date
      2015-08-10
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Collaborative molecular dynamics and SFG study on the interface of organic carbonate liquids2015
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, Akihiro Morita
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory and efficient computation of vibrational difference spectra2015
    • Author(s)
      Tatsuya Joutsuka, Akihiro Morita
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theoretical Analysis on the Methods to Derive Surface Molecular Orientation by Sum Frequency Generation Spectroscopy,2015
    • Author(s)
      Akihiro Morita, Takashi. Ishihara, Kengo Saito, Tatsuya Ishiyama, Lin Wang
    • Organizer
      249th ACS National Meeting
    • Place of Presentation
      Denver, CO, USA
    • Year and Date
      2015-03-25
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波分光解析プログラムCalnosの開発・高速化と水/メタノール混合溶液の気液界面への応用2015
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第8回6専攻合同シンポジウム
    • Place of Presentation
      東北大学青葉山キャンパス（宮城県・仙台市）
    • Year and Date
      2015-02-20
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 不均一反応での理論化学の役割2015
    • Author(s)
      森田 明弘
    • Organizer
      名大太陽研ワークショップ「日本における地球大気化学の将来検討会～不均一反応研究の現状と今後～」
    • Place of Presentation
      ホテルKKR（静岡県・熱海市）
    • Year and Date
      2015-01-17
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Microscopic Structure of Organic Electrolyte Interface by Molecular Dynamics and Sum Frequency Generation Spectroscopy2015
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, and Akihiro Morita
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ新潟コンベンションセンター （新潟県新潟市）
    • Year and Date
      2015-12-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 界面構造の座標化による油水界面のイオン輸送の解析2015
    • Author(s)
      吉川 信明、Lingjian Wang、森田 明弘
    • Organizer
      第61回ポーラログラフィーおよび電気分析化学討論会
    • Place of Presentation
      イーグレひめじ （兵庫県姫路市）
    • Year and Date
      2015-11-24
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Recent Computational Studies on Surface Vibrations and Sum Frequency Generation Spectroscopy2015
    • Author(s)
      Akihiro Morita
    • Organizer
      Carnegie Mellon University
    • Place of Presentation
      Pittsburgh, PA, USA
    • Year and Date
      2015-03-27
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水/アセトニトリル溶液の界面配向構造と非線形分極の理論研究2015
    • Author(s)
      齋藤 健吾、森田 明弘
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス （東京都目黒区）
    • Year and Date
      2015-09-18
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 二次元自由エネルギー曲面を用いた液体界面におけるイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 電極界面でのイオン輸送と脱溶媒和過程の分子シミュレーション2014
    • Author(s)
      森田 明弘
    • Organizer
      ESICB電子論検討会
    • Place of Presentation
      京都大学工学研究科イノベーションプラザ（京都市・西京区）
    • Year and Date
      2014-11-05
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 酢酸の水表面での酸解離平衡の計算2014
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究（2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第6回SFG研究会
    • Place of Presentation
      筑波大学筑波キャンパス（茨城県・つくば市）
    • Year and Date
      2014-08-03
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波分光解析プログラムCalnosの開発と水/メタノール混合溶液の界面解析への応用2014
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波発生界面分光スペクトルに含まれる電気四重極子由来のバルク成分の計算2014
    • Author(s)
      澤井 寛美、白鳥 和矢、石山 達也、森田 明弘
    • Organizer
      第7回6専攻合同シンポジウム
    • Place of Presentation
      東北大学青葉山キャンパス（仙台）
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Presentation] 振動差スペクトルの理論と効率的な計算方法2014
    • Author(s)
      城塚 達也、森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第2回公開シンポジウム
    • Place of Presentation
      大阪大学会館・大阪大学豊中キャンパス（大阪府・豊中市）
    • Year and Date
      2014-11-28
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法によるATP加水分解の自由エネルギー解析2014
    • Author(s)
      高橋 英明、三木 雄詩、森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第2回公開シンポジウム
    • Place of Presentation
      大阪大学会館・大阪大学豊中キャンパス（大阪府・豊中市）
    • Year and Date
      2014-11-18
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 振動差スペクトルの理論と効率的な計算方法2014
    • Author(s)
      城塚 達也、坂口 俊、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波発生界面分光スペクトルに含まれる電気四重極子由来のバルク成分の計算2014
    • Author(s)
      澤井 寛美、白鳥 和矢、石山 達也、森田 明弘
    • Organizer
      第7回6専攻合同シンポジウム
    • Place of Presentation
      東北大学青葉山キャンパス（仙台）
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 溶液界面の計算分子科学と分光学2014
    • Author(s)
      森田 明弘
    • Organizer
      CMSI/TCCI研究会「分子集合系における先端分析と大規模計算～高度水利用に資するスマート分離技術の基盤構築を目指して～」
    • Place of Presentation
      ウィズビジネスセンター（東京）
    • Invited
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Presentation] 振動差スペクトルの理論と効率的な計算方法2014
    • Author(s)
      城塚 達也、坂口 俊、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Molecular dynamics analysis of organic solvent interface and nonlinear spectroscopy in relation to batteries2014
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, Akihiro Morita
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 酢酸の水表面での酸解離平衡の計算2014
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 液液界面のイオン輸送における微量水の触媒効果2014
    • Author(s)
      王 聴鏡、吉川 信明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 溶液界面の計算分子科学と分光学2014
    • Author(s)
      森田 明弘
    • Organizer
      CMSI/TCCI研究会「分子集合系における先端分析と大規模計算～高度水利用に資するスマート分離技術の基盤構築を目指して～」
    • Place of Presentation
      ウィズビジネスセンター（東京）
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 二次元自由エネルギー曲面を用いた液液界面におけるイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Catalytic Effect of Trace Water on Ion Transport through Liquid-Liquid Interface2014
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, Akihiro Morita
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 交換ホール関数に基づくQM/MM法における交換反発ポテンシャルの計算2014
    • Author(s)
      海野 悟、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 電極界面でのイオン輸送と脱溶媒和過程の分子シミュレーション2014
    • Author(s)
      森田 明弘
    • Organizer
      ESICB電子論検討会
    • Place of Presentation
      京都大学工学研究科イノベーションプラザ（京都市・西京区）
    • Year and Date
      2014-11-05
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Understanding propylene carbonate (PC) interface structure and vibrational spectroscopy using molecule dynamics simulation2014
    • Author(s)
      Lin Wang, Akihiro Morita
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子動力学シミュレーションを用いたイオンの液体界面通過に伴う活性化障壁の解析2014
    • Author(s)
      吉川 信明、森田 明弘
    • Organizer
      電気化学会第81回大会
    • Place of Presentation
      関西大学千里山キャンパス(吹田)
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Becke-Rousselの交換ホール関数によるQM/MM交換反発ポテンシャルの構築2014
    • Author(s)
      高橋 英明、海野 悟、森田 明弘
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学・東山キャンパス・ES総合館　（愛知県・名古屋市）
    • Year and Date
      2014-05-24
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Study of Ion Transport through Liquid Interface by using Molecular Dynamics Simulation2014
    • Author(s)
      Nobuaki Kikkawa, Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2014
    • Place of Presentation
      Aobayama Campus Tohoku Universities,（Sendai, Japan）
    • Year and Date
      2014-09-25
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Structure and Solvation at Aqueous Interfaces2014
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on Hydrophobocity
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2014-06-24
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 超並列QM/MM-ER法を用いたATP加水分解反応の自由エネルギー解析2014
    • Author(s)
      三木 雄詩、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液界面の計算分子科学と分光学2014
    • Author(s)
      森田 明弘
    • Organizer
      CMSI/TCCI 研究会「分子集合系における先端分析と大規模計算～高度水利用に資するスマート分離技術の基盤構築を目指して～」
    • Place of Presentation
      ウィズビジネ スセンター, 東京
    • Year and Date
      2014-03-20
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Presentation] 交換ホール関数に基づくQM/MM法における交換反発ポテンシャルの計算2014
    • Author(s)
      海野 悟、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Simulation of Sum Frequency Generation Spectra at Water and Aqueous Surfaces2014
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      Mita Campus, Keio University （Tokyo, Japan）
    • Year and Date
      2014-10-10
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 分子動力学シミュレーションを用いたイオンの液体界面通過に伴う活性化障壁の解析2014
    • Author(s)
      吉川 信明、森田 明弘
    • Organizer
      電気化学会第81回大会
    • Place of Presentation
      関西大学千里山キャンパス
    • Data Source
      KAKENHI-PROJECT-21245002

  • [Presentation] Study of Ion Transport through Liquid Interface by using Molecular Dynamics Simulation2014
    • Author(s)
      Nobuaki Kikkawa, Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2014
    • Place of Presentation
      Aobayama Campus Tohoku Universities,（Sendai, Japan）
    • Year and Date
      2014-09-25
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 振動差スペクトルの理論と効率的な計算方法2014
    • Author(s)
      坂口 俊、城塚 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 二次元自由エネルギー曲面を用いた液体界面におけるイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 和周波分光解析プログラムCalnosを用いた水／メタノール混合溶液の界面解析2014
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory and Computational Analysis of Surface Nonlinear Spectroscopy2014
    • Author(s)
      Akihiro Morita
    • Organizer
      10th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014)
    • Place of Presentation
      Santiago, Chile
    • Year and Date
      2014-10-09
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Catalytic Effect of Trace Water on Ion Transport through Liquid-Liquid Interface2014
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, Akihiro Morita
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 溶液・高分子系界面の構造および機能の理論解析2014
    • Author(s)
      森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第2回公開シンポジウム
    • Place of Presentation
      大阪大学会館・大阪大学豊中キャンパス（大阪府・豊中市）
    • Year and Date
      2014-11-28
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Catalytic Effect of Trace Water on Ion Transport through Liquid-Liquid Interface -- Water Finger Formation and Hydration2014
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, Akihiro Morita
    • Organizer
      Tohoku University's Chemistry Summer School 2014
    • Place of Presentation
      Aobayama Campus Tohoku Universities,（Sendai, Japan）
    • Year and Date
      2014-09-25
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法と摂動論の結合による溶媒和自由エネルギーの計算方法の開発とその評価2014
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 酢酸の水表面での酸解離平衡の計算2014
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 液液界面のイオン輸送における微量水の触媒効果2014
    • Author(s)
      王 聴鏡、吉川 信明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 電解質水溶液表面における分子構造: 和周波発生スペクトルの計算科学的解析2014
    • Author(s)
      今村 貴子、石山 達也、森田 明弘
    • Organizer
      第65回コロイドおよび界面化学討論会
    • Place of Presentation
      東京理科大学神楽坂キャンパス(東京都・新宿区)
    • Year and Date
      2014-09-05
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 超並列QM/MM-ER法を用いたATP加水分解反応の自由エネルギー解析2014
    • Author(s)
      三木 雄詩、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 溶液・高分子系界面の構造および機能の理論解析2014
    • Author(s)
      森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第2回公開シンポジウム
    • Place of Presentation
      大阪大学会館・大阪大学豊中キャンパス（大阪府・豊中市）
    • Year and Date
      2014-11-28
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Understanding propylene carbonate (PC) interface structure and vibrational spectroscopy using molecule dynamics simulation2014
    • Author(s)
      Lin Wang, Akihiro Morita
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 水資源の高度利用への計算化学の取り組み2014
    • Author(s)
      森田 明弘
    • Organizer
      ポスト京に向けたTCCIインフォーマル研究会
    • Place of Presentation
      ウィズビジネスセンター（東京都・中央区）
    • Year and Date
      2014-05-21
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子シミュレーションによる液体界面のイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第60回ポーラログラフィーおよび電気分析化学討論会
    • Place of Presentation
      京都工芸繊維大学 60周年記念館（京都市・左京区）
    • Year and Date
      2014-11-16
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波分光解析プログラムCalnosの開発と水/メタノール混合溶液の界面解析への応用2014
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Analysis of SFG Spectroscopy of Electrolyte Aqueous Interfaces2014
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on Nonlinear Optics at Interfaces
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2014-06-12
    • Invited
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法と摂動論の結合によるπ電子の揺らぎの自由エネルギー解析2014
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 二次元自由エネルギー曲面を用いた液液界面におけるイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 水資源の高度利用への計算化学の取り組み2014
    • Author(s)
      森田 明弘
    • Organizer
      ポスト京に向けたTCCIインフォーマル研究会
    • Place of Presentation
      ウィズビジネスセンター（東京都・中央区）
    • Year and Date
      2014-05-21
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 超並列QM/MM-ER法を用いたATP加水分解反応の自由エネルギー解析2014
    • Author(s)
      三木 雄詩、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-13
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 水表面の構造と変角振動スペクトルの分子動力学研究（2014
    • Author(s)
      田中 翔悟、石山 達也、森田 明弘
    • Organizer
      第6回SFG研究会
    • Place of Presentation
      筑波大学筑波キャンパス（茨城県・つくば市）
    • Year and Date
      2014-08-03
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 和周波分光解析プログラムCalnosを用いた水／メタノール混合溶液の界面解析2014
    • Author(s)
      石原 崇志、石山 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 塩基性水溶液表面における和周波分光の理論解析 ― OH-は表面活性か ―2014
    • Author(s)
      今村 貴子、石山 達也、森田 明弘
    • Organizer
      第6回SFG研究会
    • Place of Presentation
      筑波大学筑波キャンパス（茨城県・つくば市）
    • Year and Date
      2014-08-02
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法によるATP加水分解の自由エネルギー解析2014
    • Author(s)
      高橋 英明、三木 雄詩、森田 明弘
    • Organizer
      新学術領域研究「柔らかな分子系」第2回公開シンポジウム
    • Place of Presentation
      大阪大学会館・大阪大学豊中キャンパス（大阪府・豊中市）
    • Year and Date
      2014-11-28
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 分子シミュレーションによる液体界面のイオン輸送の解析2014
    • Author(s)
      吉川 信明、王 聴鏡、森田 明弘
    • Organizer
      第60回ポーラログラフィーおよび電気分析化学討論会
    • Place of Presentation
      京都工芸繊維大学 60周年記念館（京都市・左京区）
    • Year and Date
      2014-11-16
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] エネルギー座標上の電子分布を基本変数とする電子密度交換汎関数の開発2014
    • Author(s)
      高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] QM/MM-ER法と摂動論の結合によるπ電子の揺らぎの自由エネルギー解析2014
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第28回分子シミュレーション討論会
    • Place of Presentation
      仙台市市民会館（宮城県・仙台市）
    • Year and Date
      2014-11-12
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] 振動差スペクトルの理論と効率的な計算方法2014
    • Author(s)
      坂口 俊、城塚 達也、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 交換ホール関数に基づくQM/MM法における交換反発ポテンシャルの計算2014
    • Author(s)
      海野 悟、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Theory and Computational Analysis of Surface Nonlinear Spectroscopy2014
    • Author(s)
      Akihiro Morita
    • Organizer
      10th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014)
    • Place of Presentation
      Santiago, Chile
    • Year and Date
      2014-10-09
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 電解質水溶液表面における分子構造: 和周波発生スペクトルの計算科学的解析2014
    • Author(s)
      今村 貴子、石山 達也、森田 明弘
    • Organizer
      第65回コロイドおよび界面化学討論会
    • Place of Presentation
      東京理科大学神楽坂キャンパス(東京都・新宿区)
    • Year and Date
      2014-09-05
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] エネルギー座標上の電子分布を基本変数とする電子密度交換汎関数の開発2014
    • Author(s)
      高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-22
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] QM/MM-ER法と摂動論の結合による溶媒和自由エネルギーの計算方法の開発とその評価2014
    • Author(s)
      鈴岡 大樹、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular dynamics analysis of organic solvent interface and nonlinear spectroscopy in relation to batteries2014
    • Author(s)
      Lin Wang, Qiling Peng, Shen Ye, Akihiro Morita
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-21
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] 酢酸の水表面での酸解離平衡の計算2014
    • Author(s)
      神戸 宏之、高橋 英明、森田 明弘
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学東広島キャンパス（広島県・東広島市）
    • Year and Date
      2014-09-23
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Becke-Rousselの交換ホール関数によるQM/MM交換反発ポテンシャルの構築2014
    • Author(s)
      高橋 英明、海野 悟、森田 明弘
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学・東山キャンパス・ES総合館　（愛知県・名古屋市）
    • Year and Date
      2014-05-24
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Molecular Dynamics Simulation of Sum Frequency Generation Spectra at Water and Aqueous Surfaces2014
    • Author(s)
      Tatsuya Ishiyama, Akihiro Morita
    • Organizer
      International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nose Dynamics 30 Years (NOSE30)
    • Place of Presentation
      Mita Campus, Keio University （Tokyo, Japan）
    • Year and Date
      2014-11-10
    • Data Source
      KAKENHI-PLANNED-25104003

  • [Presentation] Structure and Solvation at Aqueous Interfaces2014
    • Author(s)
      Akihiro Morita
    • Organizer
      Telluride Science Research Conference on Hydrophobocity
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2014-06-24
    • Invited
    • Data Source
      KAKENHI-PROJECT-26288003

  • [Presentation] Catalytic Effect of Trace Water on Ion Transport through Liquid-Liquid Interface -- Water Finger Formation and Hydration2014
    • Author(s)
      Lingjian Wang, Nobuaki Kikkawa, Akihiro Morita