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Tachikawa Hiroto  田地川 浩人

ORCIDConnect your ORCID iD *help
… Alternative Names

TACHIKAWA Hiroto  田地川 浩人

田地川 浩人  タチカワ ヒロト

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Researcher Number 10207045
Other IDs
External Links
Affiliation (Current) 2023: 北海道大学, 工学研究院, 准教授
Affiliation (based on the past Project Information) *help 2016 – 2022: 北海道大学, 工学研究院, 助教
2012 – 2015: 北海道大学, 工学(系)研究科(研究院), 助教
2010 – 2011: 北海道大学, 大学院・工学研究院, 助教
2009: Hokkaido University, 大学院・工学研究科, 助教
2006: Hokkaido Univ., Grad. School of Eng., Inst., 大学院工学研究科, 助手 … More
2001 – 2005: 北海道大学, 大学院・工学研究科, 助手
1998 – 1999: 北海道大学, 大学院・工学研究科, 助手
1991 – 1996: 北海道大学, 工学部, 助手 Less
Review Section/Research Field
Principal Investigator
Physical chemistry / Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Transformative Research Areas, Section (II)
Except Principal Investigator
物理化学一般 / Physical chemistry / Science and Engineering / 工業分析化学 / Civil engineering materials/Construction/Construction management
Keywords
Principal Investigator
クラスター / 反応動力学 / プロトン移動 / 反応設計 / DNA損傷 / 光劣化 / アブイニシオ計算 / トラジェクトリー / 媒質効果 / イオン化 … More / 電子捕捉 / SN2反応 / 光イオン化 / 分子動力学 / 電子脱離 / 材料開発 / 溶媒効果 / 理論分子設計 / 理論反応設計 / 光誘起反応 / 宇宙分子進化 / 電子捕捉反応 / 光イオン化反応 / イオン分子反応 / アブイニシオ法 / 振動・回転分布 / 反応ダイナミックス / 溶媒和電子 / 氷表面 / 溶媒和 / 溶媒再配向 / 分子軌道法 / S_N2反応 / Diffusion dynamics / クラスター場 / 機能分子設計 / Cluster chemistry / Reaction dynamics / イオン化反応 / 分子設計 / 振動回転状態 / 状態選択 / トラジェクトリー計算 / 水素原子引き抜き反応 / 電荷移動反応 / 量子化学計算 / 水素原子トンネリング / 反応速度 / RRKM理論 / プロトン移動反応 / ダイナミックス / トラジェクトリー法 / 波束ダイナミックス / 振動モード / アンモニアイオン / ダイレクト・ダイナミックス法 / イオン-分子反応 / 衝突過程 / 化学反応理論 / フォンデルワールス / イオン・分子反応 / 理論 / 微視的溶媒和 / 密度汎関数法 / 分子動力学法 / 再配向 / ダイナミクス / 密度汎関数計算 / 電子付加 / フェムト秒 / DNA修復 / 反応モデル / 光反応 / 化学反応動力学 / 機能性分子設計 / 水クラスター / Ab-initio Trajectory / Direct dynamics / Cluster Reaction dynamics / lonization dynamics / Ab-initio MD / Direct ab-initio dynamics / Ionization dynamics / Electron capture / ナノクラスター / クラスター化学 / 励起状態ダイナミックス / Theoretical molecular design / Design of hybrid complex / Materials Design / Nano-cluster / Molecular dynamics / DNA修復反応 / 電子付加反応 / 分子クラスター / 分子エレクトロニクス / 実時間 / 反応追尾 / 放射性セシウム / 一分子デバイス / 宇宙化学 / 宇宙線誘起反応 / 表面効果 / 衝突反応 / 反応ダイナミクス / 温度効果 / 宇宙線イオン化反応 / 光DNA損傷 … More
Except Principal Investigator
分子動力学 / シミュレーション / ESR / ポリアセチレン / 電導性ポリマ- / パルスラジオリシス / ポリマ-溶液 / 放射線化学 / ラジカルイオン / ポリマ-イオン / 局在化電子 / 炭素クラスター / ナノ材料開発 / リチウムバッテリー / 拡散ダイナミックス / 機能設計 / 分子進化 / 星間分子雲 / 氷 / 鉱物 / 物質進化 / 理論計算 / 宇宙科学 / 惑星起源・進化 / 計算物理 / 原子・分子物理 / 物性理論 / 計算機シミュレーション / 水素引抜反応 / 水素付加反応 / 低温化学 / トンネル反応 / 非断熱反応 / 新反応理論 / アルケン / 水素引き抜き反応 / アルカン / 水素原子 / 固相反応 / トンネリング / 化学反応理論 / Hydrogen abstraction / Hydrogen addition / Low-temperature chemistry / Tunneling reaction / Non-adiabstic reaction / New reaction theory / 装置 / 断熱高速通過 / 時間領域ESR / ポリシラン / 高速ESR / パルス磁場 / 非断熱測定 / 高速磁場掃引 / Instrument / Adiabatic rapid-passage / Time domain ESR / アルカリ / セメント水和物 / アルミノ珪酸カルシウム / 量子化学 / NMR / 収着 / C-A-S-H / 相互作用 / 固体NMR / 量子化学計算 / 分子動力学計算 / 計算科学 / 量子力学計算 / フェロシアン化物 / セシウム / 吸着 / 個体NMR Less
  • Research Projects

    (20 results)
  • Research Products

    (427 results)
  • Co-Researchers

    (18 People)
  •  Direct Ab initio MD Study on Photo-induced Reactions in Interstellar SpacePrincipal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      2021 – 2022
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Hokkaido University
  •  Real-time reaction dynamics of micro-solvated clusters by direct ab initio MD methodPrincipal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Hokkaido University
  •  Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-solvated ClustersPrincipal Investigator

    • Principal Investigator
      Tachikawa Hiroto
    • Project Period (FY)
      2018 – 2020
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Hokkaido University
  •  Improvement of the durability of concrete for very long-term by computational science for the interaction between cement hydrates and alkalis

    • Principal Investigator
      YAMADA KAZUO
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Civil engineering materials/Construction/Construction management
    • Research Institution
      National Institute for Environmental Studies
  •  Direct Ab-initio Molecular Dynamics (AIMD) Study on the Effects of Micro-solvation on the Reaction Mechanisms in Hydrated Clusters.Principal Investigator

    • Principal Investigator
      Tachikawa Hiroto
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Theoretical Modeling of Surface Processes and MC- and PP-disk chemistry

    • Principal Investigator
      Fukazawa Tomoko
    • 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
      Meiji University
  •  Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-Solvated ClustersPrincipal Investigator

    • Principal Investigator
      TACHIKAWA Hiroto
    • Project Period (FY)
      2012 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Direct ab-initio MD Study on real time reaction dynamics of solvation clusters.Principal Investigator

    • Principal Investigator
      TACHIKAWA Hiroto
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Development of direct ab-initio dynamics method and its application to molecular designsPrincipal Investigator

    • Principal Investigator
      TACHIKAWA Hiroto
    • Project Period (FY)
      2005 – 2006
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Development of direct ab-initio dynamics method and its application to reaction designPrincipal Investigator

    • Principal Investigator
      TACHIKAWA Hiroto
    • Project Period (FY)
      2003 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  ダイレクトダイナミックス法によるダイアモンド、グラファイト中の化学種の拡散機構

    • Principal Investigator
      清水 晃
    • Project Period (FY)
      2002 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Development of full dimensional ab-initio direct dynamics method and its application to chemical reactionsPrincipal Investigator

    • Principal Investigator
      TACHIKAWA Hiroto
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  ダイレクト・アブイニシオ・ダイナミックス法によるイオン・分子反応の理論的研究Principal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      1998 – 1999
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  水素原子トンネル移動反応への媒質効果に関する理論的研究Principal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  気相プロトン移動反応における量子状態選択性に関する理論的研究Principal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  化学反応における振動・回転量子状態選択性に関する理論的研究Principal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Construction of adiabatic rapid-passage ESR spectrometer

    • Principal Investigator
      ICHIKAWA Tsuneki
    • Project Period (FY)
      1994 – 1995
    • Research Category
      Grant-in-Aid for Developmental Scientific Research (B)
    • Research Field
      工業分析化学
    • Research Institution
      HOKKAIDO UNIVERSITY
  •  状態選択された分子の反応ダイナミックスに関する理論的研究Principal Investigator

    • Principal Investigator
      田地川 浩人
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Mechanically-controlled Chemical Reaction

    • Principal Investigator
      ICHIKAWA Tsumeki
    • Project Period (FY)
      1992 – 1993
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      物理化学一般
    • Research Institution
      (Faculty of Engineering) Hokkaido University
  •  置換ポリアセチレンにおける過剰電子の局在化と非局在化

    • Principal Investigator
      小笠原 正明
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      物理化学一般
    • Research Institution
      Hokkaido University

All 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Patent

  • [Journal Article] Reaction mechanism of an intracluster SN2 reaction induced by electron capture2022

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 24 Pages: 3941-3950

    • DOI

      10.1039/d1cp04697g

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Hydrogen Storage Mechanism in Sodium-Based Graphene Nanoflakes: A Density Functional Theory Study2022

    • Author(s)
      Tachikawa Hiroto、Yi Heewon、Iyama Tetsuji、Yamasaki Shuhei、Azumi Kazuhisa
    • Journal Title

      Hydrogen

      Volume: 3 Pages: 43-52

    • DOI

      10.3390/hydrogen3010003

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Reactions of Photoionization-Induced CO-H2O Cluster: Direct Ab Initio Molecular Dynamics Study2021

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      ACS Omega

      Volume: 6 Pages: 16688-16695

    • DOI

      10.1021/acsomega.1c02612

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Theoretical study of the dissociative photodetachment dynamics of the hydrated superoxide anion cluster2021

    • Author(s)
      Hashimoto Yu、Saito Kohei、Takayanagi Toshiyuki、Tachikawa Hiroto
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 23 Pages: 16958-16965

    • DOI

      10.1039/d1cp02379a

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Molecular Design of a Reversible Hydrogen Storage Device Composed of the Graphene Nanoflake-Magnesium-H2 System2021

    • Author(s)
      Tachikawa Hiroto、Izumi Yoshiki、Iyama Tetsuji、Azumi Kazuhisa
    • Journal Title

      ACS Omega

      Volume: 6 Pages: 7778-7785

    • DOI

      10.1021/acsomega.1c00243

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021, KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Hydration effects on proton transfer reactions in the catalytic triad Ser-His-Glu2021

    • Author(s)
      Tachikawa Hiroto、Iyama Tetsuji
    • Journal Title

      Chemical Physics

      Volume: 540 Pages: 111003-111003

    • DOI

      10.1016/j.chemphys.2020.111003

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021, KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Direct ab initio molecular dynamics study on the reactions of multi-valence ionized states of water dimer2021

    • Author(s)
      Takada Tomoya、Tachikawa Hiroto
    • Journal Title

      Journal of Physics B: Atomic, Molecular and Optical Physics

      Volume: 54 Pages: 145103-145103

    • DOI

      10.1088/1361-6455/ac170b

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Formation of Hydrogen Peroxide from O-(H2O)n Clusters2021

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 125 Pages: 4598-4605

    • DOI

      10.1021/acs.jpca.1c02883

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Solvatochromism of 4-(diethylamino)-4’-nitroazobenzene: explanation based on CNDO/S calculation results2021

    • Author(s)
      Takada Tomoya、Tachikawa Hiroto
    • Journal Title

      Journal of Computer Aided Chemistry

      Volume: 22 Issue: 0 Pages: 8-16

    • DOI

      10.2751/jcac.22.8

    • NAID

      130008129611

    • ISSN
      1345-8647
    • Language
      English
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Reaction Dynamics of NO+ with Water Clusters2021

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 126 Pages: 119-124

    • DOI

      10.1021/acs.jpca.1c09461

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05415, KAKENHI-PROJECT-21K04973
  • [Journal Article] Hydrogen Dissociation Dynamics from Water Clusters on Triplet-State Energy Surfaces2020

    • Author(s)
      Tachikawa Hiroto、Kawabata Hiroshi
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 124 Pages: 8421-8428

    • DOI

      10.1021/acs.jpca.0c07109

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] A density functional theory study on the carbon defect in a graphene nano-flake surface promoting hydrogenation2020

    • Author(s)
      Kawabata Hiroshi、Tachikawa Hiroto
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 59 Pages: 025508-025508

    • DOI

      10.35848/1347-4065/ab6be3

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] 宇宙の化学反応を実時間で追う:ダイレクト・アブイニシオ分子動力学法によるアプローチ2020

    • Author(s)
      田地川 浩人
    • Journal Title

      低温科学

      Volume: 78 Pages: 141-154

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] 星間分子PAHと分子,およびラジカルの 相互作用:量子化学的解明2020

    • Author(s)
      福澄孝博、田地川浩人
    • Journal Title

      低温科学

      Volume: 78 Pages: 155-164

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Mechanism of Li storage on graphene nanoflakes: Density functional theory study2020

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      Surface Science

      Volume: 691 Pages: 121489-121489

    • DOI

      10.1016/j.susc.2019.121489

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Local Structures and Electronic States of C-S-H-Sodium-H2O Interface: NMR and DFT Studies2020

    • Author(s)
      Hiroto Tachikawa, Kazuko Haga, Sadayuki Watanabe, Kazuo Yamada
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Pages: 5672-5680

    • DOI

      10.1021/acs.jpcc.9b11302

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H03292, KAKENHI-PROJECT-18K05021
  • [Journal Article] Proton Transfer vs Complex Formation Channels in Ionized Formic Acid Dimer: A Direct Ab Initio Molecular Dynamics Study2020

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 124 Pages: 3048-3054

    • DOI

      10.1021/acs.jpca.0c01729

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] 星間分子 PAH と分子,およびラジカルの相互作用:量子化学的解明2020

    • Author(s)
      福澄 孝博,田地川 浩人
    • Journal Title

      低温科学

      Volume: 78 Pages: 155-164

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Intramolecular Reactions in Ionized Ammonia Clusters: A Direct Ab Initio Molecular Dynamics Study2020

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 124 Pages: 1903-1910

    • DOI

      10.1021/acs.jpca.9b11122

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Proton Transfer Reaction Rates in Phenol-Ammonia Cluster Cation2020

    • Author(s)
      Tachikawa Hiroto、Iyama Tetsuji
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 124 Pages: 7893-7900

    • DOI

      10.1021/acs.jpca.0c05688

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] 宇宙の化学反応を実時間で追う:ダイレクト・ アブイニシオ分子動力学法によるアプローチ2020

    • Author(s)
      田地川浩人
    • Journal Title

      低温科学

      Volume: 78 Pages: 141-153

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Methyl radical addition to the surface of graphene nanoflakes: A density functional theory study2019

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      Surface Science

      Volume: 679 Pages: 196-201

    • DOI

      10.1016/j.susc.2018.09.013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Hydrofluorination to C<sub>60</sub>fullerene and its electronic structures in the gas phase using density functional theory study2019

    • Author(s)
      Kawabata Hiroshi、Tachikawa Hiroto
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 58 Issue: 12 Pages: 121001-121001

    • DOI

      10.7567/1347-4065/ab509a

    • NAID

      210000157408

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Water-accelerated π-Stacking Reaction in Benzene Cluster Cation2019

    • Author(s)
      Tachikawa Hiroto、Iura Ryoshu、Kawabata Hiroshi
    • Journal Title

      Scientific Reports

      Volume: 9 Pages: 2377-2377

    • DOI

      10.1038/s41598-019-39319-7

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Mechanism of Hydrogen Storage in the Graphene Nanoflake:Lithium-H2 System2019

    • Author(s)
      Tachikawa Hiroto、Iyama Tetsuji
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 123 Pages: 8709-8716

    • DOI

      10.1021/acs.jpcc.9b01152

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Molecular orbital studies of the initial process of gallium oxide chemical vapor deposition: micro-hydrolysis of triethylgallium2019

    • Author(s)
      Kawabata Hiroshi、Tachikawa Hiroto
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 58 Issue: 6 Pages: 061010-061010

    • DOI

      10.7567/1347-4065/ab2227

    • NAID

      210000156046

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Additions of fluorine atoms to the surfaces of graphene Nanoflakes:A density functional theory study2019

    • Author(s)
      Tachikawa Hiroto、Kawabata Hiroshi
    • Journal Title

      Solid State Sciences

      Volume: 97 Pages: 106007-106007

    • DOI

      10.1016/j.solidstatesciences.2019.106007

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Timescale of π-Stacking Formation in a Benzene Trimer Cation Formed by Ionization of the Parent Neutral Trimer: A Direct Ab Initio Molecular Dynamics Study2018

    • Author(s)
      TACHIKAWA Hiroto, MIYAZAWA Yoshiyuki, IURA Ryoshu
    • Journal Title

      ChemistrySelect

      Volume: 3 Pages: 1113-1119

    • DOI

      10.1002/slct.201702663

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05371, KAKENHI-PROJECT-18K05021
  • [Journal Article] Jahn-Teller Effect of the Benzene Radical Cation: A Direct ab Initio Molecular Dynamics Study2018

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 122 Pages: 4121-4129

    • DOI

      10.1021/acs.jpca.8b00292

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Journal Article] Density functional theory study on oligosilane-functionalized C60 fullerene2017

    • Author(s)
      Saori Yoshizawa, Shigeaki Abe, Mami Mutoh, Teruo Kusaka, Hiroto Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 56

    • NAID

      210000147387

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Electronic Structures of Hydrogen Functionalized Fullerenes: Density Functional Theory (DFT) Study2017

    • Author(s)
      Tachikawa Hiroto, Iyama Tetsuji, Kawabata Hiroshi
    • Journal Title

      J. Nanosci. Nanotechnol.

      Volume: 17 Pages: 8835-8841

    • DOI

      10.1166/jnn.2017.14364

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Effects of zero point vibration on the reaction dynamics of water dimer cations following ionization2017

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      J. Comput. Chem.

      Volume: 38 Pages: 1503-1508

    • DOI

      10.1002/jcc.24783

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Mechanism of K+ , Cs+ ion exchange in nickel ferrocyanide: A density functional theory study2017

    • Author(s)
      Tachikawa Hiroto、Haga Kazuko、Yamada Kazuo
    • Journal Title

      Comput. Theor. Chem.

      Volume: 1115 Pages: 175-178

    • DOI

      10.1016/j.comptc.2017.06.009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17H03292, KAKENHI-PROJECT-15K05371
  • [Journal Article] Effects of micro-solvation on the reaction dynamics of biphenyl cations following hole capture2017

    • Author(s)
      H. Tachikawa
    • Journal Title

      Chem. Phys.

      Volume: 490 Pages: 12-18

    • DOI

      10.1016/j.chemphys.2017.03.012

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Proton Transfer Rates in Ionized Hydrogen Chloride-Water Clusters: A Direct Ab Initio Molecular Dynamics Study2017

    • Author(s)
      Tachikawa Hiroto
    • Journal Title

      J. Phys. Chem. A

      Volume: 121 Pages: 5237-5244

    • DOI

      10.1021/acs.jpca.7b05112

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Hydrogen Atom Addition to the Surface of Graphene Nanoflakes: A Density Functional Theory Study2017

    • Author(s)
      H. Tachikawa
    • Journal Title

      Appl. Surf. Sci.

      Volume: 396 Pages: 1335-1342

    • DOI

      10.1016/j.apsusc.2016.11.158

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Density Functional Theory (DFT) Study on Oligosilane-Functionalizeed C60 Fullerene2017

    • Author(s)
      S. Yoshizawa, S. Abe, M. Mutoh, T. Kusaka, M. Nakamura, Y. Yoshida, J. Iida, H. Kawabata and H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 56 Issue: 1S Pages: 01AE03-01AE03

    • DOI

      10.7567/jjap.56.01ae03

    • NAID

      210000147387

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-26462907, KAKENHI-PROJECT-15K15716, KAKENHI-PROJECT-15K05371
  • [Journal Article] DFT Study on the Interaction of the Smallest Fullerene C20 with Lithium Ions and Atoms2017

    • Author(s)
      Hiroshi Kawabata, Hiroto Tachikawa
    • Journal Title

      C J. Carbon Res.

      Volume: 3 Pages: 15-15

    • DOI

      10.3390/c3020015

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Electronic states of aryl radical functionalized graphenes: Density functional theory study2016

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55 Issue: 6S1 Pages: 06GK05-06GK05

    • DOI

      10.7567/jjap.55.06gk05

    • NAID

      210000146661

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Ionization dynamics of small water clusters: Proton transfer rate2016

    • Author(s)
      H. Tachikawa and T. Takada
    • Journal Title

      Chem. Phys.

      Volume: 475 Pages: 9-13

    • DOI

      10.1016/j.chemphys.2016.05.024

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Ionization dynamics of water dimer on ice surface2016

    • Author(s)
      H. Tachikawa
    • Journal Title

      Surf. Sci.

      Volume: 647 Pages: 1-7

    • DOI

      10.1016/j.susc.2015.11.011

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Direct Ab-initio Molecular Dynamics (AIMD) Study on the Radiation Effects on Catalytic Triad composed of Ser-His-Glu residues2016

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      Int. J. Quant. Chem.

      Volume: 116 Pages: 123-129

    • DOI

      10.1002/qua.25032

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Electronic states of alkyl-radical-functionalized C20 fullerene using density functional theory2016

    • Author(s)
      S. Abe, S. Kawano, Y. Toida, M. Nakamura, S. Inoue, Y. Yoshida, H. Sano, H. Kawabata, and H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55 Issue: 3S2 Pages: 03DD03-03DD03

    • DOI

      10.7567/jjap.55.03dd03

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K15716, KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Electronic structures of hydrogen functionalized carbon nanotube: Density functional theory (DFT) study2016

    • Author(s)
      H. Tachikawa, T. Iyama, and H. Kawabata
    • Journal Title

      Solid State Sci.

      Volume: 44 Pages: 138-143

    • DOI

      10.1016/j.solidstatesciences.2016.03.004

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Reaction Dynamics Following Ionization of Ammonia Dimer Adsorbed on Ice Surface2016

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Pages: 7301-7310

    • DOI

      10.1021/acs.jpca.6b04699

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Electroconductive pretreatment of several types of non-conductive wet biological samples for SEM using a room temperature ionic liquid: Simple and rapid conductive preparation2016

    • Author(s)
      M. Mutoh, S. Abe, K. Nakayama, S. Yoshizawa, M. Nakamura, T. Kusaka, Y. Yoshida J. Iida, and T. Takada
    • Journal Title

      ATOMS

      Volume: 7 Pages: 4-12

    • DOI

      10.3390/atoms4010004

    • NAID

      130005150633

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K15716, KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Molecular Design of Ionization-Induced Proton Switching Element Based on Fluorinated DNA Base Pair2016

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Pages: 1529-1535

    • DOI

      10.1021/acs.jpca.6b00328

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Effects of single water molecule on proton transfer reaction in uracil dimer cation2016

    • Author(s)
      H. Tachikawa
    • Journal Title

      Theor. Chem. Acc.

      Volume: 135 Pages: 1-9

    • DOI

      10.1007/s00214-016-1807-y

    • NAID

      120005971287

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction2016

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Pages: 6596-6603

    • DOI

      10.1021/acs.jpca.6b05563

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Ionization Dynamics of the Branched Water Cluster: A Long-lived Non-Proton-transferred Intermediate2016

    • Author(s)
      H. Tachikawa and T. Takada
    • Journal Title

      Comput. Theor. Chem.

      Volume: 1989 Pages: 13-20

    • DOI

      10.1016/j.comptc.2016.05.008

    • NAID

      120006491477

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Addition reaction of alkyl radical to C<sub>60</sub> fullerene: Density functional theory study2016

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55 Issue: 2S Pages: 02BB01-02BB01

    • DOI

      10.7567/jjap.55.02bb01

    • NAID

      120005898493

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Alkali metal mediated C-C bond coupling reaction.2015

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Chem. Phys.

      Volume: 142 Pages: 064301-064301

    • DOI

      10.1063/1.4906944

    • NAID

      120005602526

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
  • [Journal Article] Electronic states of alkali metal-NTCDA complexes: A DFT study2015

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      Solid State Sci.

      Volume: 48 Pages: 141-146

    • DOI

      10.1016/j.solidstatesciences.2015.08.002

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Journal Article] Initial photooxidation mechanism leading to reactive radical formation of polythiophene derivatives2015

    • Author(s)
      Y. Aoyama, T. Yamanari, T. Murakami, H. Tachikawa
    • Journal Title

      Polymer Journal

      Volume: 47 Pages: 26-30

    • DOI

      10.1038/pj.2014.81

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24560004, KAKENHI-PROJECT-15K05371, KAKENHI-PROJECT-15K13329, KAKENHI-PLANNED-25108004
  • [Journal Article] Proton transfer rates in ionized water clusters (H2O)n (n = 2–4)2015

    • Author(s)
      H. Tachikawa and T. Takada
    • Journal Title

      RSC Adv

      Volume: 5 Pages: 6945-6953

    • DOI

      10.1039/c4ra14763d

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
  • [Journal Article] Interaction of Methyl Radical (CH3) with C60 Fullerene: Density Functional Theory (DFT) Study2015

    • Author(s)
      H. Tachikawa and T. Iyama
    • Journal Title

      Phys. Status Solidi C

      Volume: 12 Pages: 659-663

    • DOI

      10.1002/pssc.201400354

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
  • [Journal Article] Alkali Metal Mediated C-C bond Coupling Reaction2015

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Chem. Phys.

      Volume: in press

    • NAID

      120005602526

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Journal Article] Structures and electronic states of halogen-terminated graphene nano-flakes2015

    • Author(s)
      H. Tachikawa and T. Iyama
    • Journal Title

      Solid State Sci.

      Volume: 50 Pages: 91-96

    • DOI

      10.1016/j.solidstatesciences.2015.10.016

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
  • [Journal Article] Solvent stripping dynamics of lithium ion solvated by ethylene carbonates: A direct ab-initio molecular dynamics (AIMD) study.2014

    • Author(s)
      H. Tachikawa, S. Abe
    • Journal Title

      Thin Solid Films

      Volume: 120 Pages: 148-153

    • DOI

      10.1016/j.electacta.2013.12.054

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947, KAKENHI-PLANNED-25108004
  • [Journal Article] Water-Accelerated OH Addition to Sulfur Dioxide SO2: Direct Ab Initio Molecular Dynamics2014

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Phys. Chem. A

      Volume: 118 Pages: 3230-3236

    • DOI

      10.1021/jp5014175

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Photo-Reaction Mechanism of the Hydrated Superoxide Anion: A Theoretical Study2014

    • Author(s)
      H. Tachikawa and T. Fukuzumi
    • Journal Title

      J. Solution Chem.

      Volume: 43 Pages: 1519-1528

    • DOI

      10.1007/s10953-014-0167-2

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Origin of Spectrum Shifts of Benzophenone-Water Clusters: DFT Study2014

    • Author(s)
      T. Iyama, H. Kawabata and H. Tachikawa
    • Journal Title

      J. Solution Chem.

      Volume: 43 Pages: 1676-1686

    • DOI

      10.1007/s10953-014-0228-6

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary, Battery: A Direct Ab Initio Molecular Dynamics (AIMD) Study2014

    • Author(s)
      H. Tachikawa
    • Journal Title

      Chem. Phys. Chem.

      Volume: 15 Pages: 1604-1610

    • DOI

      10.1002/cphc.201301151

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Effect of hydrogenation on the band gap of graphene nano-flakes2014

    • Author(s)
      H. Tachikawa, T. Iyama
    • Journal Title

      Thin Solid Films

      Volume: 554 Pages: 148-153

    • DOI

      10.1016/j.tsf.2013.08.020

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Quantum Tunneling Hydrogenation of Solid Benzene and Its Control via Surface Structure2014

    • Author(s)
      T. Hama, H. Ueta, A. Kouchi, N. Watanabe, H. Tachikawa
    • Journal Title

      Journal of Physical Chemistry Letters

      Volume: 5 Pages: 3843-3848

    • DOI

      10.1021/jz5019948

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-14J07892, KAKENHI-PROJECT-24224012, KAKENHI-PROJECT-24550001, KAKENHI-ORGANIZER-25108001, KAKENHI-PLANNED-25108002, KAKENHI-PROJECT-25247086, KAKENHI-PROJECT-26410001
  • [Journal Article] Density functional theory study on the interaction of magnesium ions with graphene surface2014

    • Author(s)
      K. Kato, T. Iyama, H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 53 Issue: 2S Pages: 02BD02-02BD02

    • DOI

      10.7567/jjap.53.02bd02

    • NAID

      210000143373

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Structures and electronic states of fluorinated grapheme2014

    • Author(s)
      H. Tachikawa, T. Iyama
    • Journal Title

      Solid State Sci.

      Volume: 28 Pages: 41-46

    • DOI

      10.1016/j.solidstatesciences.2013.12.014

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Electron detachment dynamics of O2-(H2O): direct ab initio molecular dynamics (AIMD) approach2014

    • Author(s)
      H. Tachikawa
    • Journal Title

      RSC Adv.

      Volume: 4 Pages: 516-522

    • DOI

      10.1039/c3ra45753b

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Effect of hydrogenation on the band gap of graphene nano-flakes2014

    • Author(s)
      H. Tachikawa, T. Iyama, H. Kawabata
    • Journal Title

      THIN SOLID FILMS

      Volume: 554 Pages: 199-203

    • DOI

      10.1016/j.tsf.2013.08.108

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Molecular interactions with CO2 for controlling the regioselectivity of liquid phase hydrogenation of 2,4-dinitroaniline2014

    • Author(s)
      H. Yoshida, A. Tomizawa, H. Tachikawa, S. Fujita and M. Arai
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 16 Pages: 18955-18965

    • DOI

      10.1039/c4cp02114b

    • NAID

      120005624077

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Photo-induced oxidation of polythiophene derivatives: Dependence on side chain structure2013

    • Author(s)
      Y. Aoyama, T.Yamanari, N.Koumura, H.Tachikawa, M. Nagai,Y. Yoshida
    • Journal Title

      POLYMER DEGRADATION AND STABILITY

      Volume: 98 Pages: 899-903

    • DOI

      10.1016/j.polymdegradstab.2013.01.006

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Ionization dynamics of the water trimer: A direct ab initio MD study2013

    • Author(s)
      H. Tachikawa and T. Takada
    • Journal Title

      Chem. Phys.

      Volume: 415 Pages: 76-83

    • DOI

      10.1016/j.chemphys.2012.12.027

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Density Functional Theory (DFT) Study on Interaction of Carbon Free Radicals with Graphene Surface2013

    • Author(s)
      T. Iyama, H. Tachikawa
    • Journal Title

      Mol. Cryst. Liq. Cryst.

      Volume: 579 Pages: 10-16

    • DOI

      10.1080/15421406.2013.804793

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Double pi-pi stacking dynamics of benzene trimer cation: direct ab initio molecular dynamics (AIMD) Study2013

    • Author(s)
      H. Tachikawa
    • Journal Title

      Theor. Chem. Acc.

      Volume: 132

    • DOI

      10.1007/s00214-013-1374-4

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Interaction of Hydroxyl OH Radical with Graphene Surface: A Density Functional Theory Study2013

    • Author(s)
      H. Tachikawa, T. Iyama, and H. Kawabata
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 52 Issue: 1S Pages: 01AH01-01AH01

    • DOI

      10.7567/jjap.52.01ah01

    • NAID

      210000141787

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
  • [Journal Article] Hole capture dynamics of phenyl-capped thiophene: Direct ab-initio molecular dynamics study2012

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Journal Title

      J. Organometal. Chem

      Volume: 720 Pages: 60-65

    • DOI

      10.1016/j.jorganchem.2012.07.002

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Density Functional Theory Study on Interaction of Hydroperoxyl Radical with Graphene Surface2012

    • Author(s)
      T. Fukuzumi and H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 51 Issue: 10S Pages: 10NE33-10NE33

    • DOI

      10.1143/jjap.51.10ne33

    • NAID

      210000141535

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Mechanism of the intramolecular hydrogen transfer reaction at ground and excited state of tert-butyl radical: An ESR and DFT study2012

    • Author(s)
      T. Takada, H. Kawabata, and H. Tachikawa
    • Journal Title

      J. Mol. Struct.

      Volume: 1020 Pages: 1-5

    • DOI

      10.1016/j.molstruc.2012.04.005

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] DFT study of 2-butyne-1,4-diol adsorption on Ni(111) or Ni(100) clusters2012

    • Author(s)
      T. Sakamoto, H. Tachikawa, and K. Azumi
    • Journal Title

      Appl. Surf. Sci.

      Volume: 258 Pages: 6785-6792

    • DOI

      10.1016/j.apsusc.2012.03.069

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Internal Distribution of Micro-/Nano-sized Inorganic Particles and their Cytocompatibility2012

    • Author(s)
      S.Abe, F.Watari, H.Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 51 Issue: 1S Pages: 01AH07-01AH07

    • DOI

      10.1143/jjap.51.01ah07

    • NAID

      210000140087

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21791929, KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947
  • [Journal Article] A Density Functional Theory Study on Interaction of Fluorinated Ethylene Carbonate with a Graphene Surface2012

    • Author(s)
      S. Abe, F. Watari, and H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 51 Issue: 10S Pages: 10NE34-10NE34

    • DOI

      10.1143/jjap.51.10ne34

    • NAID

      210000141536

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947
  • [Journal Article] Direct ab initio molecular dynamics (MD) study of the ionization on a benzene dimer2012

    • Author(s)
      H. Tachikawa
    • Journal Title

      RSC Adv.

      Volume: 2 Pages: 6897-6904

    • DOI

      10.1039/c2ra20246h

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Density Functional Theory (DFT) Study on the Addition of Hydroxyl Radical (OH) to C202012

    • Author(s)
      T. Iyama, S. Abe and H. Tachikawa
    • Journal Title

      Mol. Cryst. Liq. Cryst

      Volume: 567 Pages: 200-206

    • DOI

      10.1080/15421406.2012.703808

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Electron Detachment Dynamics of Cu-(H2O)n (n=1-3): A Direct Ab-initio MD study.2012

    • Author(s)
      H. Tachikawa
    • Journal Title

      RSC Adv.

      Volume: 2 Pages: 12346-12354

    • DOI

      10.1039/c2ra20907a

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Journal Article] Diffusion of the Li+ ion on C60 : A DFT and Molecular Dynamics (MD) Study2011

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Phys. Chem. C.

      Volume: 115 Pages: 20406-20411

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ionization dynamics of a water dimer : specific reaction selectivity2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Chem.Chem.Phys

      Volume: 13 Pages: 11206-11212

    • DOI

      10.1039/c0cp02861d

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic states of hydrogen atom trapped in diamond lattice2011

    • Author(s)
      H. Tachikawa
    • Journal Title

      Chem. Phys. Lett.

      Volume: 513 Pages: 94-98

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT study on the interaction of Fullerene (C60) with hydroxyl radical (OH)2011

    • Author(s)
      H. Tachikawa, T. Iyama, S. Abe
    • Journal Title

      Phys. Proc.

      Volume: 14 Pages: 139-142

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ab-initio theoretical calculations of the electronic excitation energies of small water clusters2011

    • Author(s)
      H. Tachikawa, A. Yabushita and M. Kawasaki
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 13 Pages: 20745-20749

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct ab initio MD study on the hydrogen abstraction reaction of triplet state acetone from methanol molecule2011

    • Author(s)
      H. Tachikawa, H. Kawabata
    • Journal Title

      Theoret. Chem. Accounts

      Volume: 128 Pages: 207-213

    • NAID

      120003660579

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study of the Interaction of Magnesium Ions with Graphene Chip2011

    • Author(s)
      K. Kato, T. Iyama, H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50

    • NAID

      210000138354

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Evaporation processes of water molecules from graphene edge : DFT and MD study2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Comput.Mater.Sci

      Volume: 50 Pages: 2640-2643

    • DOI

      10.1016/j.commatsci.2011.04.009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study on the Water Clusters on Graphene Chip2011

    • Author(s)
      S. Abe, Y. Nagoya, F. Watari, H. Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50

    • NAID

      210000138355

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Collision Induced Complex Formation following Electron capture of SO2-H2O Complex interacting with Argon Atoms2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Phys.Chem.A

      Volume: 115 Pages: 9091-9096

    • DOI

      10.1021/jp202778t

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic states of hydrogen atom trapped in diamond lattice2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Chem.Phys.Lett.

      Volume: 513 Pages: 94-98

    • DOI

      10.1016/j.cplett.2011.07.074

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Collision Induced Complex Formation following Electron capture of SO2-H2O Complex interacting with Argon Atoms2011

    • Author(s)
      H. Tachikawa
    • Journal Title

      J. Phys. Chem. A

      Volume: 115 Pages: 9091-9096

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ionization dynamics of aminopyridine dimer : a direct ab initio molecular dynamics (MD) study2011

    • Author(s)
      H. Tachikawa, T. Fukuzumi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 13 Pages: 5881-5887

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Evaporation processes of water molecules from graphene edge : DFT and MD study2011

    • Author(s)
      S. Abe, Y. Nagoya, F. Watari, H. Tachikawa
    • Journal Title

      Comput. Mater. Sci.

      Volume: 50 Pages: 2640-2643

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT study on the interaction of Fullerene (C60) with hydroxyl radical (OH)2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Proc.

      Volume: 14 Pages: 139-142

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ionization dynamics of aminopyridine dimer : a direct ab initio molecular dynamics (MD) study2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Chem.Chem.Phys

      Volume: 13 Pages: 5881-5887

    • DOI

      10.1039/c0cp01542c

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study of Boron- and Nitrogen-Atom-Doped Graphene Chips2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50 Issue: 1S2 Pages: 01BJ03-01BJ03

    • DOI

      10.1143/jjap.50.01bj03

    • NAID

      210000138356

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Diffusion of the Li+ ion on C60 : A DFT and Molecular Dynamics (MD) Study2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Phys.Chem.C.

      Volume: 115 Pages: 20406-20411

    • DOI

      10.1021/jp204608s

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study of Boron-and Nitrogen-Atom-Doped Graphene Chips2011

    • Author(s)
      H. Tachikawa, T. Iyama, K. Azumi
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50

    • NAID

      210000138356

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ab-initio theoretical calculations of the electronic excitation energies of small water clusters2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Chem.Chem.Phys

      Volume: 13 Pages: 20745-20749

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ground and Low-lying Excited Electronic States of Graphene Flakes : A Density Functional Theory (DFT) Study2011

    • Author(s)
      H. Tachikawa, H. Kawabata
    • Journal Title

      J. Phys. B.

      Volume: 44 Pages: 205105-205105

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ground and Low-lying Excited Electronic States of Graphene Flakes : A Density Functional Theory (DFT) Study2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Phys.B

      Volume: 44 Pages: 205-105

    • DOI

      10.1088/0953-4075/44/20/205105

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] The Interaction Between Carbon Nanomaterials and Polypeptide : An in vitro and in silico Study2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Mol.Cryst.Liq.Cryst.

      Volume: 538 Pages: 258-264

    • DOI

      10.1080/15421406.2011.564083

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT Study on the Interaction of Carbon Nano-Materials with Sodium Ion and Atom2011

    • Author(s)
      T. Fukuzumi, H. Tachikawa, K. Azumi
    • Journal Title

      Mol. Cryst. Liq. Cryst.

      Volume: 538 Pages: 61-66

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT Study on the Interaction of Carbon Nano-Materials with Sodium Ion and Atom2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Mol.Cryst.Liq.Cryst.

      Volume: 538 Pages: 61-66

    • DOI

      10.1080/15421406.2011.563642

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ionization dynamics of a water dimer : specific reaction selectivity2011

    • Author(s)
      H. Tachikawa
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 13 Pages: 11206-11212

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study of the Interaction of Magnesium Ions with Graphene Chip2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50 Issue: 1S2 Pages: 01BJ01-01BJ01

    • DOI

      10.1143/jjap.50.01bj01

    • NAID

      210000138354

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Study on the Water Clusters on Graphene Chip2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 50 Issue: 1S2 Pages: 01BJ02-01BJ02

    • DOI

      10.1143/jjap.50.01bj02

    • NAID

      210000138355

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct ab initio MD study on the hydrogen abstraction reaction of triplet state acetone from methanol molecule2011

    • Author(s)
      H.Tachikawa
    • Journal Title

      Theoret.Chem.Accounts

      Volume: 128 Pages: 207-213

    • DOI

      10.1007/s00214-010-0822-7

    • NAID

      120003660579

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene2010

    • Author(s)
      Tachikawa H, Nagoya Y., Fukuzumi T.
    • Journal Title

      J. POWER SOURCES

      Volume: 195 Pages: 6148-6152

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Structures and Electronic States of Water Molecules on Graphene Surface : A Density Functional Theory Study2010

    • Author(s)
      Abe S, Nagoya Y, Watari F, Tachikawa H
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000068695

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electron Capture Dynamics of a Water Molecule Connected to a Cyclic Water Trimer : A Direct Ab Initio MD Approach2010

    • Author(s)
      Tachikawa H
    • Journal Title

      J. Phys. Chem. A

      Volume: 114 Pages: 10309-10314

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Interaction of Water Molecules with Graphene : A Density Functional Theory and Molecular Dynamics Study2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000067876

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Structures and Electronic States of Water Molecules on Graphene Surface : A Density Functional Theory Study2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000068695

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Method for Study of the Mechanism of C-H Bond Formation on Finite-Sized Graphene Surface2010

    • Author(s)
      Tachikawa H, Iyama T
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000068694

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Effects of 2-buthyne-1, 4-diol additive on electrodeposited Ni films from a Watts-type bath2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      ELECTROCHIMICA ACTA

      Pages: 8570-8578

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Effects of Point Charges on the Excitation Energies of Protonated Schiff Base of Retinal2010

    • Author(s)
      Iyama T, Kawabata H, Tachikawa H
    • Journal Title

      Synth. React. Inorg., Met.-Org., Nano-Met. Chem.

      Volume: 40 Pages: 306-311

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Effects of Point Charges on the Excitation Energies of Protonated Schiff Base of Retinal2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY

      Volume: 40 Pages: 306-311

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer2010

    • Author(s)
      Ohmori S, Kawabatay H, Tokunaga K, Tachikawa H
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000067841

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic state dependence of the ion-molecule reaction CH3CN++CH3CN→CH4CN++CH2CN : Threshold electron-secondary ion coincidence (TESICO) and direct ab-initio molecular dynamics Study2010

    • Author(s)
      Tachikawa H., Fukuzumi, T., Koyano, I.
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 12 Pages: 15399-15405

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JOURNAL OF POWER SOURCES

      Volume: 195 Pages: 6148-6152

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory and Direct Molecular Dynamics Study of the Hydrogen Atom on a Finite-Sized Graphene2010

    • Author(s)
      Tachikawa H, Iyama T, Kawabata H
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000067875

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct ab initio MD study on the interaction of hydroperoxy radic al (HOO) with water molecules2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS

      Volume: 12 Pages: 3904-3909

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000067841

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion2010

    • Author(s)
      Tachikawa H, Iyama T, Kawabata H
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000067871

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory Method for Study of the Mechanism of C-H Bond Formation on Finite-Sized Graphene Surface2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000068694

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Density Functional Theory and Direct Molecular Dynamics Study of the Hydrogen Atom on a Finite-Sized Graphene2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000067875

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic state dependence of the ion-molecule reaction CH3CN++CH3CN->CH4CN++CH2CN : threshold electron-secondary ion coincidence (TESICO) and direct ab initio molecular dynamics study2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS

      Volume: 12 Pages: 15399-15405

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct Ab Initio MD Study on the Electron Capture Dynamics of Hydroperoxy Radical (HOO)-Water Complexes2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A

      Volume: 114 Pages: 4951-4956

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 49

    • NAID

      210000067871

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Interaction of Water Molecules with Graphene : A Density Functional Theory and Molecular Dynamics Study2010

    • Author(s)
      Abe S, Nagoya Y, Watari F, Tachikawa H
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49

    • NAID

      210000067876

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct ab initio MD study on the interaction of hydroperoxy radical (HOO) with water molecules2010

    • Author(s)
      Tachikawa H, Abe S
    • Journal Title

      Phys. Chem. Chem, Phys.

      Volume: 12 Pages: 3904-3909

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electron Capture Dynamics of a Water Molecule Connected to a Cyclic Water Trimer : A Direct Ab Initio MD Approach2010

    • Author(s)
      H.Tachikawa
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A

      Volume: 114 Pages: 10309-10314

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Direct Ab Initio MD Study on the Electron Capture Dynamics of Hydroperoxy Radical (HOO)-Water Complexes2010

    • Author(s)
      Tachikawa H
    • Journal Title

      J. Phys. Chem. A

      Volume: 114 Pages: 4951-4956

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Interaction of Lithium Ion (Li+) with Chlorinated Graphene (Cl-Graphene) Surface : A Direct Ab-Initio MD Study2009

    • Author(s)
      H. Kawabata, T. Iyama, H. Tachikawa
    • Journal Title

      Mol. Cryst. Liq. Cryst.

      Volume: 504 Pages: 147-154

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic States of Defect Sites of Graphene Model Compounds : A DFT and Direct Molecular Orbital-Molecular Dynamics Study2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Phys.Chem.C 113

      Pages: 7603-7609

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ab-Initio and MD Studies on the Interaction of Carbon Nano-Materials with Alkali Ion and Atom2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Mol.Crst.Liq.Crst 505

      Pages: 140-146

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT and direct MD study of the diffusion of sodium ion on graphenes2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Thin Sold Films 518

      Pages: 873-876

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] MD simulation of the interaction of magnesium with graphene2009

    • Author(s)
      H. Tachikawa, T. Iyama, H. Kawabata
    • Journal Title

      Thin Solid Films

      Volume: 518 Pages: 877-879

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gel2009

    • Author(s)
      T. Takada, H. Tachikawa
    • Journal Title

      J. Mol. Cat. A-Chemical

      Volume: 311 Pages: 54-60

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A direct ab initio molecular dynamics (MD) study on the benzophenone-water 1 : 1 complex2009

    • Author(s)
      H. Tachikawa, T. Iyama, K. Kato
    • Journal Title

      Phys. Chem. Chem, Phys.

      Volume: 11 Pages: 6008-6014

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A DFT and MD Study on the Interaction of Carbon Nano-Materials with Metal Ions2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Mol.Crst.Liq.Crst. 505

      Pages: 289-296

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Electronic States of Defect Sites of Graphene Model Compounds : A DFT and Direct Molecular Orbital-Molecular Dynamics Study2009

    • Author(s)
      H. Tachikawa, H. Kawabata
    • Journal Title

      J. Phys. Chem. C

      Volume: 113 Pages: 7603-7609

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Maximum capacity of the hydrogen storage in water clusters2009

    • Author(s)
      H. Tachikawa, T. Iyama, H. Kawabata
    • Journal Title

      Physics and Chemistry of Liquids

      Volume: 47(1) Pages: 103-109

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A direct ab initio molecular dynamics(MD)study on the benzophenonewater 1:1 complex2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Chem.Chem.Phys. 11

      Pages: 6008-6014

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A DFT and MD Study on the Interaction of Carbon Nano-Materials with Metal Ions2009

    • Author(s)
      S. Abe, F. Watari, T. Takada, H. Tachikawa
    • Journal Title

      Mol. Cryst. Liq. Cryst.

      Volume: 505 Pages: 289-296

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Maximum capacity of the hydrogen storage in water clusters2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Phys.Chem.Liquids 47

      Pages: 103-109

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Molecular design of high performance fused porphyrin one-dimensional wire : A DFT study2009

    • Author(s)
      S. Ohmori, H. Kawabata, K. Tokunaga, H. Tachikawa
    • Journal Title

      Thin Solid Films

      Volume: 518 Pages: 901-905

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] γ-Selective Cross-Coupling Reactions of Potassium Allyl-trifluoroborates with Haloarenes Catalyzed by a Pd(0)/D-t-BPF or Pd(0)/Josiphos ((R, S)-CyPF-t-Bu) Complex : Mechanistic Studies on Transmetalation and Enantioselection2009

    • Author(s)
      Y. Yamamoto, S. Takada, N. Miyaura, T. Iyama, and H. Tachikawa
    • Journal Title

      ORGANOMETALLICS

      Volume: 28 Pages: 152-160

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gel2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Mol.Catal.A. 311

      Pages: 54-60

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Molecular design of high performance fused porphyrin one-dimensional wire : A DFT study2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Thin Sold Films 518

      Pages: 901-905

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] SN2反応を実時間で見る!2009

    • Author(s)
      田地川浩人
    • Journal Title

      化学 64

      Pages: 62-63

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Maximum capacity of the hydrogen storage in water clusters2009

    • Author(s)
      H. Tachikawa, T. Iyama, H. Kawabata
    • Journal Title

      Phys. Chem. Liq.

      Volume: 47 Pages: 103-109

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Gamma-Selective Cross-Coupling Reactions of Potassium Allyltrifluoroborates with Haloarenes Catalyzed by a Pd(0)/D-t-BPF or Pd(0)/Josiphos((R, S)-CyPF-t-Bu)Complex : Mechanistic Studies on Transmetalation and Enantioselection2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      ORGANOMETALLICS 28

      Pages: 152-160

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Ab-Initio and MD Studies on the Interaction of Carbon Nano-Materials with Alkali Ion and Atom2009

    • Author(s)
      T. Iyama, K. Kato, H. Kawabata, H. Tachikawa, and K Azumi
    • Journal Title

      Mol. Cryst. Liq. Cryst.

      Volume: 504 Pages: 140-146

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] MD simulation of the interaction of magnesium with graphene2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Thin Sold Films 518

      Pages: 877-879

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A Density Functional Theory Study of Ground and Low-Lying Excited Electronic States in Defective Graphenes2009

    • Author(s)
      H.Tachikawa, Y. Nagoya, H. Kawabata
    • Journal Title

      J. Chem. Theor. Comput.

      Volume: 5 Pages: 2101-2107

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] DFT and direct MD study of the diffusion of sodium ion on graphenes2009

    • Author(s)
      H. Tachikawa, H. Kawabata
    • Journal Title

      Thin Solid Films

      Volume: 518 Pages: 873-876

    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Interaction of Lithium Ion(Li+)with Chlorinated Graphene(Cl- Graphene)Surface : A Direct Ab-Initio MD Study2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      Mol.Crst.Liq.Crst. 505

      Pages: 147-154

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] A Density Functional Theory Study of Ground and Low-Lying Excited Electronic States in Defective Graphenes2009

    • Author(s)
      H.Tachikawa
    • Journal Title

      J.Chem.Theort.Comput. 5

      Pages: 2101-2107

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Journal Article] Structures and electronic states of permethyloligosilane radical ions with all-trans form Si_n(CH_3)_<2n+2>^+(n=2-6)2007

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Chem. Theor. Comput. 3

      Pages: 184-193

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Reaction dynamics following Electron capture of chlorofluorocarbon adsorbed on water cluster : A direct DFT-molecular dynamics study2007

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Chem. Phys. 126(In press)

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Electronic states of radical cations of all-trans oligo[methyl(phenyl)silane]2007

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Organometal. Chem. 692

      Pages: 1511-1518

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Electronic states of radical cations of all-trans oligo[methyl(phenyl)silane]2007

    • Author(s)
      H.Tachikawa, H.Kawabata
    • Journal Title

      J. Organometal. Chem. 692

      Pages: 1511-1518

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Electronic states of radical cations of all-trans oligo [methyl(phenyl)silane]2007

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Organometal. Chem. 692

      Pages: 1511-1518

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Molecular design of high performance fused heteroacene Radical cations : A DFT study2007

    • Author(s)
      H.Kawabata, S.Ohmori, K.Matsushige, H.Tachikawa
    • Journal Title

      Thin Solid Films (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Computer Aided-Molecular Design of High Performance Nano-Carbon Materials2007

    • Author(s)
      T.Iyama, H.Kawabata, H.Tachikawa
    • Journal Title

      Thin Solid Films (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and electronic states of permethyloligosilane radicalions with all-trans form Si_n(CH_3)_<2n+2>^+ (n=2-6)2007

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Chem. Theor. Comput. 3

      Pages: 184-193

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Reaction dynamics following Electron capture of chlorofluorocarbon adsorbed on water cluster : A direct DFT-molecular dynamics study2007

    • Author(s)
      H.Tachikawa, S.Abe
    • Journal Title

      J. Chem. Phys. (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] A DFT study on the structures and electronic states of zinc cluster Zn_n(n=2-32)2007

    • Author(s)
      K.Iokibe, H.Tachikawa, K.Azumi
    • Journal Title

      J. Phys. B 40

      Pages: 427-436

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and electronic states of permethyloligosilane radical ions with all-trans form Si_n(CH_3)_<2n+2>^+ (n=2-6) : A density functional theory study2007

    • Author(s)
      H.Tachikawa, H.Kawabata
    • Journal Title

      J. Chem. Theor. Comput. 3

      Pages: 184-193

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and Cis-to-Trans Photoisomerization of Hexafluoro-1,3-butadiene Radical Cation : Electron Spin Resonance (ESR) and Computational Studies2007

    • Author(s)
      H-Y.Xiao, J.Cao, Y.Liu, W-H.Fang, H.Tachikawa M.Shiotani
    • Journal Title

      J. Phys. Chem. A (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Spectral Shifts of Ozone Molecule by the Complex Formation with a Water Molecule2006

    • Author(s)
      H.Tachikawa, S.Abe
    • Journal Title

      Chem. Phys. Lett. 432

      Pages: 409-413

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Diffusion Dynamics of the Li Atom on Amorphous Carbon : A Direct Molecular Orbital-Molecular Dynamics Study2006

    • Author(s)
      H.Tachikawa, A.Shimizu
    • Journal Title

      J. Phys. Chem. B 110

      Pages: 20445-20450

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct ab initio molecular dynamics study on a microsolvated S_N2 reaction of OH^-(H_2O) with CH_3Cl2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Chem. Phys. 125

      Pages: 133119-133129

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] The Electron Hydration Dynamics in Water Clusters : A direct ab-initio MD Approach2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Chem. Phys. 125

      Pages: 144307-144315

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.A 110

      Pages: 153-159

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006

    • Author(s)
      H.Tachikawa
    • Journal Title

      J. Phys. Chem. A 110

      Pages: 153-159

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Phys. Chem. A 110

      Pages: 153-159

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states2006

    • Author(s)
      H.Tachikawa, H.Kawabata
    • Journal Title

      J. Organometal. Chem. 691

      Pages: 4843-4849

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct ab-initio Molecular Dynamics Study on a S_N2 Reaction OH^- + CH_3Cl→CH_3OH+Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Chem. Phys. 324

      Pages: 639-646

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Spectral Shifts of Ozone Molecule by the Complex Formation with a Water Molecule2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Chem. Phys. Lett. 432

      Pages: 409-413

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct ab-initio Molecular Dynamics Study on a S_n2 Reaction OH^-+CH_3Cl→CH_3OH+Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006

    • Author(s)
      H.Tachikawa, M.Igarashi
    • Journal Title

      Chem. Phys. 324

      Pages: 639-646

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Na(H_2O) dynamics following electron detachment from Na^-(H_2O) anion2006

    • Author(s)
      S.Kondo, K.Hashimoto, H.Tachikawa
    • Journal Title

      Chem. Phys. Lett. 431

      Pages: 45-50

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct observation and reactions of Cl_3radical2006

    • Author(s)
      S.Enami, T.Yamanaka, S.Hashimoto, M.Kawasaki, S.Aloisio, H.Tachikawa
    • Journal Title

      J. Chem. Phys. 125

      Pages: 133116-133122

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Diffusion Dynamics of the Li Atom on Amorphous Carbon : A Direct Molecular Orbital- Molecular Dynamics Study2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Phys. Chem. B 110

      Pages: 20445-20450

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Organometal. Chem. 691

      Pages: 4843-4849

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] The electronic structures of all trans form of permethyl-oligosilane radical cation with longer chain : A density functional theory study2006

    • Author(s)
      H.Kawabata, S.Ohmori, K.Matsushige, H.Tachikawa
    • Journal Title

      J. Organometal. Chem. 691

      Pages: 5525-5530

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct ab initio molecular dynamics study on a microsolvated S_N2 reaction of OH (H_2O) with CH-_3Cl2006

    • Author(s)
      H.Tachikawa
    • Journal Title

      J. Chem. Phys. 125

      Pages: 133119-133129

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Direct ab-initio Molecular Dynamics Study on a S_N2 Reaction OH^- + CH_3Cl → CH_3OH + Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Chem. Phys. 324

      Pages: 639-646

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] 1,4-Addition of arylboronic acids to beta-aryl- alpha, beta-unsaturated ketones and esters catalyzed by a rhodium(I)-chiraphos complex for catalytic and enantioselective synthesis of selective endothelin-A receptor antagonists2006

    • Author(s)
      T.Itoh, T.Mase, T.Nishikata, T.Iyama, H.Tachikawa, Y.Kobayashi, Y.Yarnamoto, N.Miyaura
    • Journal Title

      Tetrahedron 62

      Pages: 9610-9621

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] The Electron Hydration Dynamics in Water Clusters : A direct ab-initio MD Approach2006

    • Author(s)
      H.Tachikawa
    • Journal Title

      J. Chem. Phys. 125

      Pages: 144307-144315

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Photochem. Photobiol. B : Biol. 79

      Pages: 11-23

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005

    • Author(s)
      H.Tachikawa, H.Kawabata
    • Journal Title

      J. Photochem. Photobiol. B : Biol. 79

      Pages: 191-195

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005

    • Author(s)
      H.Tachikawa, T.Iyama
    • Journal Title

      Int. J. Quant. Chem. 102

      Pages: 230-238

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Hybrid DFT Study of the Hyperfine Coupling Constants of Methyl Radicals in Model Matrix Lattices2005

    • Author(s)
      T.Takada, H.Tachikawa
    • Journal Title

      Int. J. Quant. Chem. 105

      Pages: 79-83

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] TD-DFT calculations of the potential energy curves for the trans-cis photo-isomerization of protonated Schiff base of retinal2005

    • Author(s)
      Hiroto TACHIKAWA, Teshuji IYAMA
    • Journal Title

      J.Photochem.Photobiol.B 76

      Pages: 55-60

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n(n=1-4)2005

    • Author(s)
      Hiroto TACHIKAWA, Shigeaki Abe
    • Journal Title

      Inorg.Chim.Acta 358

      Pages: 288-294

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Study on Voltage Output Mechanism of Cable Sensor for Vibration Detection2005

    • Author(s)
      F.Ito, Dauren F.Akhmetov, M.Komazaki, H.Tachikawa, M.Ujihira, K.Ohara, Y.Kawamura
    • Journal Title

      T. SICE 41

      Pages: 715-723

    • NAID

      130003791987

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Phys. Chem. B 109

      Pages: 3139-3145

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Experimental and Theoretical Studies on the Organic-Inorganic Hybrid Compound : Aluminum-NTCDA Co-Deposited Film2005

    • Author(s)
      H.Tachikawa, H.Kawabata, M.Yokoyama
    • Journal Title

      J. Phys. Chem. B 109

      Pages: 3139-3145

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.B 109

      Pages: 3139-3145

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Mol. Struct. (THEOCHEM) 718

      Pages: 117-122

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005

    • Author(s)
      H.Tachikawa, H.Kawabata
    • Journal Title

      Jpn. J. Appl. Phys. 44

      Pages: 3769-3773

    • NAID

      10016440833

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Photochem. Photobiol. B : Biol. 79

      Pages: 191-195

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.B 109(8)

      Pages: 3139-3145

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Can. J. Chem. 83

      Pages: 1597-1605

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n (n=1-4)2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Inorg.Chim.Acta 358(2)

      Pages: 288-294

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n (n= 1-4)2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Inorg. Chim. Acta 358

      Pages: 288-294

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005

    • Author(s)
      H.Tachikawa, M.Igarashi, J.Nishihira, T.Ishibashi
    • Journal Title

      J. Photochem. Photobiol. B : Bio1 79

      Pages: 11-23

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Jpn.J.Appl.Phys. 44

      Pages: 3769-3773

    • NAID

      10016440833

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Mol.Struc (THEOCHEM) 718(1)

      Pages: 117-122

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Organometal.Chem. 690

      Pages: 2895-2904

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Photochem.Photobiol.B : Biol. 79

      Pages: 11-23

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Int. J. Quant. Chem. 102

      Pages: 230-238

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Int.J.Quant.Chem., 102

      Pages: 230-238

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorphous Carbon : A Direct Molecular Orbital Dynamics Study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.B 109

      Pages: 13255-13262

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005

    • Author(s)
      Hiroto TACHIKAWA, Teshuji IYAMA
    • Journal Title

      J.Mol.Struc (THEOCHEM) 718

      Pages: 117-122

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Hybrid DFT Study of the Hyperfine Coupling Constants of Methyl Radicals in Model Matrix Lattices2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Int. J. Quant. Chem. 105

      Pages: 79-83

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] H6^+ in irradiated solid para-hydrogen and its decay dynamics : Reinvestigation of quartet electron paramagnetic resonance lines assigned to H_2^-2005

    • Author(s)
      T.Kumada, H.Tachikawa, T.Takayanagi
    • Journal Title

      Phys. Chem. Chem. Phys. 7

      Pages: 776-784

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and excitation energies of ozone-water clusters O3(H2O)n (n=1-4)2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Inorg.Chim.Acta 358

      Pages: 288-294

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005

    • Author(s)
      H.Tachikawa, H.Kawabata, K.Ishida, K.Matsushige
    • Journal Title

      J. Organometal. Chem. 690

      Pages: 2895-2904

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Can.J.Chem. 83

      Pages: 1597-1605

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Organometal. Chem. 690

      Pages: 2895-2904

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorp hous Carbon : A Direct Molecular Orbital Dynamics Study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J. Phys. Chem. B 109

      Pages: 13255-13262

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005

    • Author(s)
      Hiroto TACHIKAWA, Hiroshi Kawabata
    • Journal Title

      J.Phys.Chem.B 109

      Pages: 3139-3145

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005

    • Author(s)
      H.Tachikawa
    • Journal Title

      Can. J. Chem. 83

      Pages: 1597-1605

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n(n=1-4)2005

    • Author(s)
      H.Tachikawa, S.Abe
    • Journal Title

      Inorg.Chim.Acta 358

      Pages: 288-294

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005

    • Author(s)
      H.Tachikawa, T.Iyama, H.Kawabata
    • Journal Title

      J. Mol. Struct. (THEOCHEM) 718

      Pages: 117-122

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Photochem.Photobiol.B : Biol. 79

      Pages: 191-195

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorphous Carbon : A Direct Molecular Orbital Dynamics Study2005

    • Author(s)
      H.Tachikawa, A.Shimizu
    • Journal Title

      J. Phys. Chem. B 109

      Pages: 13255-13262

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Mol.Struct.(THEOCHEM) 718

      Pages: 117-122

    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Jpn. J. Appl. Phys. 44

      Pages: 3769-3773

    • NAID

      10016440833

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550001
  • [Journal Article] Ionization dynamics of the small-sized water clusters : A direct ab initio trajectory study2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.A 108(39)

      Pages: 7853-7862

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] A hybrid DFT study on the mechanism of the electron conductivity of molecular devices composed of metal and carbonyl compounds2004

    • Author(s)
      Hiroto TACHIKAWA, Hiroshi Kawabata
    • Journal Title

      Molecular Simulation 30

      Pages: 923-928

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] TD-DFT calculations of the potential energy curves for the trans-cis photo-isomerization of protonated Schiff base of retinal2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Photochem.Photobiol.B 76(1-3)

      Pages: 55-60

    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ionization dynamics of the small-sized water clusters : A direct ab initio trajectory study2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.A 108

      Pages: 7853-7862

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] A hybrid DFT study on the mechanism of the electron conductivity of molecular devices composed of metal and carbonyl compounds2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      Molecular Simulation 30(13)

      Pages: 923-928

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ionization dynamics of the small-sized water clusters : A direct abinitio trajectory study2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Phys.Chem.A 108(39)

      Pages: 7853-7862

    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] TD-DFT calculations of the potential energy curves for the trans-cisphoto-isomerization of protonated Schiff base of retinal2004

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      J.Photochem.Photobiol.B 76(1-3)

      Pages: 55-60

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ozone-water 1:1 complexes O_3-H_2O : An Ab initio study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      INORGANIC CHEMISTRY 42

      Pages: 2188-2190

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Electron capture dynamics of the water dimer : a direct ab-initio dynamics study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      CHEMICAL PHYSICS LETTERS 370

      Pages: 118-196

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Electron capture dynamics of the water dimer : a direct ab initio dynamics study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      CHEMICAL PHYSICS LETTERS 370

      Pages: 118-196

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Decomposition dynamics of interstellar HCNH : Ab-initio MO and RRKM studies2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      ASTRONOMY & ASTROPHYSICS 397

      Pages: 1-6

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ionization dynamics of trans-formanilide-H_2O complexes : A direct ab initio dynamics study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A 107

      Pages: 7505-7513

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ionization dynamics of trans-formanilide-H_2O complexes : A direct ab initio dynamics study2003

    • Author(s)
      Hiroto TACHIKAWA, Manabu IGARASHI
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY A 107

      Pages: 7505-7513

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ozone-water 1:1 complexes O_3-H_2O : An Ab initio study2003

    • Author(s)
      Hiroto TACHIKAWA, Shigeaki Abe
    • Journal Title

      INORGANIC CHEMISTRY 42

      Pages: 2188-2190

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Dynamics of the hole-capture processes in biphenyl and poly (4-vinyl-biphenyl) : A direct ab initio trajectory study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY B 107

      Pages: 1113-1119

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Dynamics of the hole-capture processes in biphenyl and poly(4-vinyl-biphenyl) : A direct ab initio trajectory study2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      JOURNAL OF PHYSICAL CHEMISTRY B 107

      Pages: 1113-1119

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Decomposition dynamics of interstellar HCNH : Ab-initio MO and RRKM studies2003

    • Author(s)
      Hiroto TACHIKAWA, Takayuki Fukuzumi, Teshuji IYAMA
    • Journal Title

      ASTRONOMY & ASTROPHYSICS 397

      Pages: 1-6

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C=O carbonyl compounds2003

    • Author(s)
      Hiroto TACHIKAWA
    • Journal Title

      JOURNAL OF MATERIALS CHEMISTRY 13

      Pages: 1293-1297

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Journal Article] Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C=O carbonyl compounds2003

    • Author(s)
      Hiroto TACHIKAWA, Hiroshi Kawabata
    • Journal Title

      JOURNAL OF MATERIALS CHEMISTRY 13

      Pages: 1293-1297

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Patent] 演算監視プログラム2003

    • Inventor(s)
      田地川 浩人
    • Industrial Property Rights Holder
      関西TLO
    • Industrial Property Number
      2003-091605
    • Filing Date
      2003-03-28
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15550001
  • [Presentation] 4-(ジエチルアミノ)-ニトロアゾベンゼンのソルバトクロミズム:CNDO/S法およびDFT法による解釈2022

    • Author(s)
      高田知哉、田地川 浩人
    • Organizer
      日本化学会第102春季年会
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] 4-ジエチルアミノ-ニトロアゾベンゼンのソルバトクロミズム:CNDO/S法およびDFT法による解釈2022

    • Author(s)
      高田知哉、田地川 浩人
    • Organizer
      日本化学会第102春季年会
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] 微視的な水によるフラーレン表面にドープしたLi+イオンの不活化2021

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第15回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] 金属ドープグラフェンナノフレークの水素貯蔵メカニズム2021

    • Author(s)
      泉善貴, 田地川浩人, 安住和久
    • Organizer
      化学系学協会北海道支部2021年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] グラフェン上への水素吸着の分子軌道計算2021

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第16回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] 金属ドープグラフェンナノフレークの水素貯蔵メカニズム2021

    • Author(s)
      泉善貴, 田地川浩人, 安住和久
    • Organizer
      化学系学協会北海道支部2021年冬季研究発表会
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] シリンドリカルフラーレン表面のラジカル付加反応の位置依存性2021

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第16回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] シリンドリカルフラーレン表面のラジカル付加反応の位置依存性2021

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第16回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] リチウムをドープしたグラフェンの水素貯蔵メカニズムの理論解明2021

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第15回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04973
  • [Presentation] グラフェン上への水素吸着の分子軌道計算2021

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第16回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] 金属をドープグラフェンナノフレークの水素貯蔵メカニズム2021

    • Author(s)
      泉善貴, 田地川浩人, 安住和久
    • Organizer
      化学系学協会北海道支部2021年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] 微視的な水によるフラーレン表面にドープしたLi+イオンの不活化2021

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第15回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] リチウムをドープしたグラフェンの水素貯蔵メカニズムの理論解明2021

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第15回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PUBLICLY-21H05415
  • [Presentation] アルカリ金属をドープしたグラフェンナノフレークによる水素貯蔵機構の理論解明2020

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第14回酸化グラフェンシンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Mechanism of Hydrogen Storage in the Graphene Nanoflake-Lithium-H2 System2020

    • Author(s)
      Hiroto Tachikawa, Tetsuji Iyama
    • Organizer
      ISPlasma 2020 & IC-PLANTS 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Adsorption/Desorption of H2 to the Graphene Surface2020

    • Author(s)
      Hiroshi Kawabata, Hiroto Tachikawa
    • Organizer
      ISPlasma 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] グラフェンナノフレークの水素貯蔵メカニズム:理論的アプローチ2020

    • Author(s)
      井山哲二, 田地川浩人
    • Organizer
      化学系学協会北海道支部2020年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Mechanism of Adsorption/Desorption of H2 to the Graphene Surface2020

    • Author(s)
      Hiroshi Kawabata, Tetsuji Iyama, Hiroto Tachikawa
    • Organizer
      ISPlasma 2020 & IC-PLANTS 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] ホール捕捉によって誘起されるパイスタッキング・ジャンクションの理論設計2020

    • Author(s)
      井浦亮周, 田地川浩人
    • Organizer
      化学系学協会北海道支部2020年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] ホール捕捉によって誘起されるパイスタッキング・ジャンクションの理論設計2020

    • Author(s)
      井浦亮周, 田地川浩人
    • Organizer
      化学系学協会北海道支部2020年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] カーボンナノチューブ上のリチウムの拡散メカニズム:密度汎関数計算2020

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      化学系学協会北海道支部2020年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Density Functional Theory (DFT) Study on the Interaction of H2 with Lithium Doped Graphene Surface2020

    • Author(s)
      Hiroto Tachikawa, Tetsuji Iyama
    • Organizer
      ISPlasma 2020
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] フッ素化グラフェンナノフレークによる水素貯蔵機構の理論解明2020

    • Author(s)
      井山哲二, 田地川浩人
    • Organizer
      化学系学協会北海道支部2020年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Density Functional Theory (DFT) Study on the Interaction of H2 with Lithium Doped Graphene Surface2019

    • Author(s)
      Hiroto Tachikawa, Tetsuji Iyama
    • Organizer
      ISPlasma 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] リチウム-グラフェン系による水素貯蔵メカニズムの理論解明2019

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第33回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] DNA塩基のプロトン移動を利用した実時間スイッチング素子の理論設計2019

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      化学系学協会北海道支部2019年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] ベンゼンクラスターのホール捕捉によって誘起されるパイスタッキング・ダイ2019

    • Author(s)
      井浦亮周, 田地川浩人
    • Organizer
      化学系学協会北海道支部2019年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] ホール捕捉によって誘起されるパイスタッキングへのヘテロ原子の効果2019

    • Author(s)
      井浦亮周, 田地川浩人, 安住和久
    • Organizer
      第9回CSJ化学フェスタ2019
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] リチウムをドープしたグラフェン・ナノフレークの水素貯蔵メカニズム・理論的アプローチ2019

    • Author(s)
      井山哲二, 田地川浩人
    • Organizer
      化学系学協会北海道支部2019年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] C-S-H モデル分子とNa+イオン-水との相互作用の 量子化学計算2019

    • Author(s)
      田地川浩人,山田一夫
    • Organizer
      セメント技術大会
    • Data Source
      KAKENHI-PROJECT-17H03292
  • [Presentation] Density Functional Theory (DFT) Study on the Mechanism of Adsorption/Desorption of H2 to the Graphene Surface2019

    • Author(s)
      Tetsuji Iyama, Hiroshi Kawabata, Hiroto Tachikawa
    • Organizer
      ISPlasma 2019
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] 宇宙氷表面に吸着した分子ダイマーの光イオン化ダイナミクス:ダイレクト・アプイニシオMD法によるアプローチ2019

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      化学系学協会北海道支部2019年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] C-S-H モデル分子と Na+イオン-水との相互作用の量子化学計算2019

    • Author(s)
      山田一夫、田地川浩人
    • Organizer
      セメント技術大会
    • Data Source
      KAKENHI-PROJECT-17H03292
  • [Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2018

    • Author(s)
      Hiroto Tachikawa, Tetsuji Iyama
    • Organizer
      ISPlasma 2018 & IC-PLANTS 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Electronic States of Hydrogen Added Carbon Materials: Density Functional Theory (DFT) Study2018

    • Author(s)
      Tetsuji Iyama, Takahiro Fukuzumi, Hiroshi Kawabata, Hiroto Tachikawa
    • Organizer
      ISPlasma 2018 & IC-PLANTS 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェンによる水素貯蔵メカニズムの理論解明2018

    • Author(s)
      井山哲二, 加藤晃一, 田地川浩人
    • Organizer
      化学系学協会北海道支部2018年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン表面へ吸着した金属による水素貯蔵機構の理論解明2018

    • Author(s)
      井山哲二, 田地川浩人
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] 氷表面が反応速度を加速する化学反応の理論研究2018

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      化学系学協会北海道支部2018年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン-金属超錯体の水素貯蔵メカニズム:理論的アプローチ2018

    • Author(s)
      加藤晃一, 井山哲二, 田地川浩人
    • Organizer
      化学系学協会北海道支部2018年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] ホール捕捉によって誘起されるパイスタッキングの機構解明2018

    • Author(s)
      井浦亮周, 田地川浩人, 安住和久
    • Organizer
      第8回CSJ化学フェスタ2018
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] グラフェン-リチウム-水素の相互作用に関する理論的研究2018

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第25回クロマトグラフィーシンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Molecular Design of High-performance π-Stacking Materials2018

    • Author(s)
      Ryoshu Iura, Hiroto Tachikawa
    • Organizer
      International Microprocesses and Nanotechnology Conference
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Theoretical Study on Adsorption/Desorption of Hydrogen Molecule to the Surface of Graphene Nanoflakes2018

    • Author(s)
      Hiroshi Kawabata, Hiroto Tachikawa
    • Organizer
      International Microprocesses and Nanotechnology Conference
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] 宇宙空間の氷表面に吸着した分子の光イオン化ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2018

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2018

    • Author(s)
      Tetsuji Iyama, Hiroto Tachikawa
    • Organizer
      ISPlasma 2018 & IC-PLANTS 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] Electronic States of Hydrogen Added Carbon Materials: Density Functional Theory (DFT) Study2018

    • Author(s)
      Tetsuji Iyama, Takahiro Fukuzumi, Hiroshi Kawabata, Hiroto Tachikawa
    • Organizer
      ISPlasma 2018 & IC-PLANTS 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] グラフェン表面のリチウム原子(またはフッ素原子)への水素吸着に関する理論的研究2018

    • Author(s)
      井山哲二, 川畑弘, 田地川浩人
    • Organizer
      第41回フッ素化学討論会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] DNA塩基のプロトン移動を利用したスイッチング素子の理論設計:ダイレクト・アブイニシオMD法によるアプローチ2018

    • Author(s)
      川畑 弘, 田地川浩人
    • Organizer
      第12回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18K05021
  • [Presentation] 最小フラーレンC20とアルカリ金属の反応性2017

    • Author(s)
      川畑弘、田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] A DFT Study on oligosilane-functionalized nanocarbon materials2017

    • Author(s)
      Yuko Era, Shigeaki Abe, Mariko Nakamura, Yasuhiro Yoshida, and Hiroto Tachikawa
    • Organizer
      IWUMD-2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 紫外線によるDNA損傷の理論的研究2017

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      日本ケミカルバイオロジー学会 第12回年会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェンーリチウム系による水素貯蔵メカニズムの理論解明2017

    • Author(s)
      井山哲二,加藤晃一,田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 紫外線によるDNA損傷の理論的研究2017

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      第41回有機電子移動化学討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェンーリチウム系による水素貯蔵メカニズムの理論解明2017

    • Author(s)
      井山哲二、加藤晃一、田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Interaction of Hydrogen Atom with Carbon Materials: Density Functional Theory (DFT) Study2017

    • Author(s)
      Tetsuji Iyama, Takahiro Fukuzumi, Hiroto Tachikawa
    • Organizer
      IWUMD-2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 最小フラーレンC20とアルカリ金属の反応性2017

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン表面の金属(イオン)の電子状態と動的挙動2017

    • Author(s)
      加藤晃一, 井山哲二, 田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 水クラスターのイオン化反応ダイナミクス:プロトン移動速度と星間分子反応への適用2017

    • Author(s)
      福澄孝博,田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Computer Aided Molecular Design of Functionalized Fullerenes and Graphenes2017

    • Author(s)
      Hiroto Tachikawa, Tetsuji Iyama, and Hiroshi Kawabata
    • Organizer
      EM-NANO 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] DFT Study on the Radical-Functionalized Graphenes and Fullerenes2017

    • Author(s)
      Shigeaki Abe, Yuko Era, Yukari Nakagawa, Hiroto Tachikawa
    • Organizer
      EM-NANO 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] リチウム-グラフェン系による水素貯蔵メカニズムの理論解明2017

    • Author(s)
      田地川浩人, 井山哲二, 福澄孝博
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 宇宙空間の氷表面に吸着した分子の光イオン化ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2017

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン表面の金属原子(イオン)の電子状態と動的挙動2017

    • Author(s)
      加藤晃一、井山哲二、田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン表面の金属原子(イオン)の電子状態と動的挙動2017

    • Author(s)
      加藤晃一,井山哲二,田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] DNA損傷チミンダイマーの修復反応機構の理論解明2017

    • Author(s)
      川畑 弘, 田地川 浩人
    • Organizer
      日本ケミカルバイオロジー学会 第12回年会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 電子捕捉後のチミンダイマーの反応ダイナミクス2017

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第41回有機電子移動化学討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2017

    • Author(s)
      Hiroto Tachikawa, and Tetsuji Iyama
    • Organizer
      IWUMD 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン-リチウム系による水素貯蔵メカニズムの理論解明2017

    • Author(s)
      井山哲二, 加藤晃一, 田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 最小フラーレンC20とアルカリ金属の反応性2017

    • Author(s)
      川畑弘,田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 水クラスターのイオン化反応ダイナミクス:プロトン移動速度と星間反応2017

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2017

    • Author(s)
      川畑弘, 田地川浩人
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] 水クラスターのイオン化反応ダイナミクス:プロトン移動速度と星間分子反応への適用2017

    • Author(s)
      福澄孝博、田地川浩人
    • Organizer
      化学系学協会北海道支部2017年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2017-01-17
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on the Interaction of H2 with Metal Atoms on Graphene Surface2017

    • Author(s)
      Tetsuji Iyama, Takahiro Fukuzumi, Hiroto Tachikawa
    • Organizer
      EM-NANO 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] グラフェン表面へ吸着したリチウムによる水素貯蔵メカニズムの理論2017

    • Author(s)
      井山哲二, 田地川浩人
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] DFT Study on the Interaction of Hydrogen Atom with Graphene Nano-Flakes2017

    • Author(s)
      Hiroshi Kawabata, Tetsuji Iyama, Hiroto Tachikawa
    • Organizer
      EM-NANO 2017
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Computer Aided-Molecular Design of Organic Radical-Functionalized Graphene: Density Functional Theory (DFT) Study2016

    • Author(s)
      T. Iyama, H. Kawabata, and H.Tachikawa
    • Organizer
      29th International Microprocesses and Nanotechnology Conference(MNC 2016)
    • Place of Presentation
      ANAクラウンプラザホテル(京都市)
    • Year and Date
      2016-11-08
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on the Interaction of Hydrogen Atom with Carbon Materialss2016

    • Author(s)
      H. Tachikawa and T. Iyama
    • Organizer
      12th International Conference on Nano and Micro Electronics(ICNME 2016)
    • Place of Presentation
      神戸国際会議場(神戸市)
    • Year and Date
      2016-12-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on the Radical-Functionalized Graphenes and Fullerenes2016

    • Author(s)
      H. Kawabata, T. Iyama, and H. Tachikawa
    • Organizer
      12th International Conference on Nano and Micro Electronics(ICNME 2016)
    • Place of Presentation
      神戸国際会議場(神戸市)
    • Year and Date
      2016-12-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes2016

    • Author(s)
      H. Tachikawa, T. Iyama and H. Kawabata
    • Organizer
      Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
    • Place of Presentation
      札幌コンベンションセンター(札幌市)
    • Year and Date
      2016-10-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Electronic Device of the C20-M system (M = Li, Na, K)2016

    • Author(s)
      H. Kawabata and H. Tachikawa
    • Organizer
      Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
    • Place of Presentation
      札幌コンベンションセンター(札幌市)
    • Year and Date
      2016-10-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Functionalized Fullerenes and Graphene2016

    • Author(s)
      H. Tachikawa and T. Iyama
    • Organizer
      KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
    • Place of Presentation
      アクロス福岡国際会議場(福岡市)
    • Year and Date
      2016-09-04
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Electronic States of Organic Radical-Functionalized Graphenes and Fullerenes: Density Functional Theory (DFT) Study2016

    • Author(s)
      T.Iyama, H. Kawabata, T. Fukuzumi and H. Tachikawa
    • Organizer
      Compound Semiconductor Week 2016(CSW 2016)
    • Place of Presentation
      富山国際会議場(富山市)
    • Year and Date
      2016-06-26
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Radical-Functionalized Fullerene and Carbon Nanotubes (CNT): A DFT Study2016

    • Author(s)
      H. Tachikawa, T. Iyama, and H. Kawabata
    • Organizer
      29th International Microprocesses and Nanotechnology Conference(MNC 2016)
    • Place of Presentation
      ANAクラウンプラザホテル(京都市)
    • Year and Date
      2016-11-08
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Computer Aided-Molecular Design of Organic Radical-Functionalized Graphene: Density Functional Theory (DFT) Study2016

    • Author(s)
      T. Iyama, H. Kawabata, and H.Tachikawa
    • Organizer
      9th International Microprocesses and Nanotechnology Conference(MNC 2016
    • Place of Presentation
      ANAクラウンプラザホテル(京都市)
    • Year and Date
      2016-11-08
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Density Functional Theory (DFT) Study on the Interaction of Hydrogen Atom with Carbon Materialss2016

    • Author(s)
      H. Tachikawa and T. Iyama
    • Organizer
      12th International Conference on Nano and Micro Electronics(ICNME 2016)
    • Place of Presentation
      神戸国際会議場(神戸市)
    • Year and Date
      2016-12-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Density Functional Theory (DFT) Study on Electronic States of Organic Radical-Functionalized Graphene and Fullerene2016

    • Author(s)
      T. Iyama, H. Kawabata, and H. Tachikawa
    • Organizer
      KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
    • Place of Presentation
      アクロス福岡国際会議場(福岡市)
    • Year and Date
      2016-09-04
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Electronic States of Alkyl Radical Functionalized Fullerene (R-C60): Density Functional Theory (DFT) Study2016

    • Author(s)
      S. Abe and H. Tachikawa
    • Organizer
      ISPlasma/IC-PLANTS2016
    • Place of Presentation
      名古屋大学(名古屋市)
    • Year and Date
      2016-03-06
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on Electronic States of Organic Radical-Functionalized Graphene and Fullerene2016

    • Author(s)
      T. Iyama, H. Kawabata and H. Tachikawa
    • Organizer
      KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
    • Place of Presentation
      アクロス福岡国際会議場(福岡市)
    • Year and Date
      2016-09-04
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2016

    • Author(s)
      H. Tachikawa, T. Iyama, and H. Kawabata
    • Organizer
      Compound Semiconductor Week 2016(CSW 2016)
    • Place of Presentation
      富山国際会議場(富山市)
    • Year and Date
      2016-06-26
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Molecular Design of Electronic Device of the C20-M system (M = Li, Na, K)2016

    • Author(s)
      H. Kawabata and H. Tachikawa
    • Organizer
      Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
    • Place of Presentation
      札幌コンベンションセンター(札幌市)
    • Year and Date
      2016-10-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Electronic States of Alkyl Radical Functionalized Fullerene (R-C60): Density Functional Theory (DFT) Study2016

    • Author(s)
      S. Abe and H. Tachikawa
    • Organizer
      ISPlasma/IC-PLANTS2016
    • Place of Presentation
      名古屋大学(名古屋市)
    • Year and Date
      2016-03-06
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes2016

    • Author(s)
      H. Tachikawa, T. Iyama, and H. Kawabata
    • Organizer
      Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
    • Place of Presentation
      札幌コンベンションセンター(札幌市)
    • Year and Date
      2016-10-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Molecular Design of Radical-Functionalized Fullerene and Carbon Nanotubes (CNT): A DFT Study2016

    • Author(s)
      H. Tachikawa, T. Iyama and H. Kawabata
    • Organizer
      9th International Microprocesses and Nanotechnology Conference(MNC 2016
    • Place of Presentation
      ANAクラウンプラザホテル(京都市)
    • Year and Date
      2016-11-08
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Electronic States of Organic Radical-Functionalized Graphenes and Fullerenes: Density Functional Theory (DFT) Study2016

    • Author(s)
      T.Iyama, H. Kawabata, T. Fukuzumi, and H. Tachikawa
    • Organizer
      Compound Semiconductor Week 2016(CSW 2016)
    • Place of Presentation
      富山国際会議場(富山市)
    • Year and Date
      2016-06-26
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on the Radical-Functionalized Graphenes and Fullerenes2016

    • Author(s)
      H. Kawabata, T. Iyama and H. Tachikawa
    • Organizer
      12th International Conference on Nano and Micro Electronics(ICNME 2016)
    • Place of Presentation
      神戸国際会議場(神戸市)
    • Year and Date
      2016-12-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2016

    • Author(s)
      H. Tachikawa, T. Iyama and H. Kawabata
    • Organizer
      Compound Semiconductor Week 2016(CSW 2016)
    • Place of Presentation
      富山国際会議場(富山市)
    • Year and Date
      2016-06-26
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 星間分子PAHsと水素原子との反応メカニズム2016

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      化学系学協会北海道支部2016年冬季研究発表会
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2016-01-19
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Molecular Design of Functionalized Fullerenes and Graphene2016

    • Author(s)
      H. Tachikawa and T. Iyama
    • Organizer
      KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
    • Place of Presentation
      アクロス福岡国際会議場(福岡市)
    • Year and Date
      2016-09-04
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Promotion of the hydrogen abstraction reaction from the triplet excited state by intermolecular hydrogen bonding2015

    • Author(s)
      H. Kawabata and H. Tachikawa
    • Organizer
      1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2015-10-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2015

    • Author(s)
      H. Tachikawa
    • Organizer
      28th International Microprocesses and Nanotechnology Conference (MNC 2015)
    • Place of Presentation
      富山国際会議場(富山県)
    • Year and Date
      2015-11-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] DFT Study on the Interaction of Polycyclic Aromatic Hydrocarbon (PAHs) with Hydrogen Atom2015

    • Author(s)
      H. Tachikawa
    • Organizer
      31st Symposium on Chemical Kinetics and Dynamics
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2015-06-03
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Molecular Design of Functionalized Nano-Carbon Materials: Styrene-Functionalized Graphene and C602015

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      28th International Microprocesses and Nanotechnology Conference (MNC 2015)
    • Place of Presentation
      富山国際会議場(富山県)
    • Year and Date
      2015-11-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Interaction of Organic Radical with Nano-graphene: Density Functional Theory (DFT) Study2015

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
    • Place of Presentation
      ときメッセ(新潟県)
    • Year and Date
      2015-06-16
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Computer Aided Molecular Design of Electronic Device of the Smallest Fullerene C20: Interaction with Alkali ion and Atom, Solvation Process2015

    • Author(s)
      H. Kawabata and H. Tachikawa
    • Organizer
      28th International Microprocesses and Nanotechnology Conference (MNC 2015)
    • Place of Presentation
      富山国際会議場(富山県)
    • Year and Date
      2015-11-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Interaction of Alkyl Radicals with Fullerene (C60): Density Functional Theory (DFT) Study2015

    • Author(s)
      H. Tachikawa
    • Organizer
      Eighth International Conference on Molecular Electronics and Bioelectronics (M&BE8)
    • Place of Presentation
      タワーホール船堀(東京都江戸川区)
    • Year and Date
      2015-06-22
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] The Mechanism of H2 Desorption on Small Graphene Chips: DFT Study2015

    • Author(s)
      H. Kawabata and H. Tachikawa
    • Organizer
      The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
    • Place of Presentation
      ときメッセ(新潟県)
    • Year and Date
      2015-06-16
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Proton Transfer Rates in Ionized Water Clusters (H2O)n (n=2-7)2015

    • Author(s)
      T. Fukuzumi and H. Tachikawa
    • Organizer
      1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2015-10-14
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Reaction Mechanism of Hydrogen with Polycyclic Aromatic Hydrocarbon (PAHs) Cation2015

    • Author(s)
      H. Tachikawa
    • Organizer
      31st Symposium on Chemical Kinetics and Dynamics
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2015-06-03
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Proton Transfer Rates in Ionized Water Clusters (H2O)n (n=2-7)2015

    • Author(s)
      T. Fukuzumi and H. Tachikawa
    • Organizer
      1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
    • Place of Presentation
      北海道大学(札幌市)
    • Year and Date
      2015-10-14
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Interaction of Organic Radical with Carbon Materials: Density Functional Theory (DFT) Study2015

    • Author(s)
      H. Tachikawa
    • Organizer
      The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
    • Place of Presentation
      ときメッセ(新潟県)
    • Year and Date
      2015-06-16
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on Interaction of hydrogen Atom with Graphene and C60 Surfaces2015

    • Author(s)
      H. Tachikawa
    • Organizer
      The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
    • Place of Presentation
      ときメッセ(新潟県)
    • Year and Date
      2015-06-16
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05371
  • [Presentation] Density Functional Theory (DFT) Study on Adsorption of Radical Species to Graphene Surface2013

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      5th International Conferences on Recent Progress in Graphene Research
    • Place of Presentation
      東京工業大学(東京都目黒区)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] STRUCTURES AND ELECTRONIC STATES OF THE RADICALS ADSORBED ON GRAPHENE2013

    • Author(s)
      H. Tachikawa
    • Organizer
      26th International Microprocesses and Nanotechnology Conference (MNC 2013)
    • Place of Presentation
      ロイトン札幌(札幌市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface2013

    • Author(s)
      T. Iyama, and H. Tachikawa
    • Organizer
      The 4th International Symposium on Organic and Inorganic Electronic Materials
    • Place of Presentation
      石川県立音楽堂(金沢市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Adsorption of Radical Species to Graphene Surface: Density Functional Theory2013

    • Author(s)
      T. Iyama, and H. Tachikawa
    • Organizer
      Seventh International Conference on Molecular Electronics and Bio-Electronics
    • Place of Presentation
      福岡国際会議場(福岡市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Enhancement of H2 Adsorption on Graphene Surface by Metal addition2013

    • Author(s)
      K. Kato, T. Iyama, and H. Tachikawa
    • Organizer
      The 4th International Symposium on Organic and Inorganic Electronic Materials
    • Place of Presentation
      石川県立音楽堂(金沢市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Adsorption and Diffusion of Alkali ion on Boron/Nitrogen Substituted Graphene Nanoflakes2013

    • Author(s)
      H. Tachikawa
    • Organizer
      Seventh International Conference on Molecular Electronics and Bio-Electronics
    • Place of Presentation
      福岡国際会議場(福岡市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Solvent Re-orientation Dynamics of Benzophenone-Water Clusters on Triplet State Potential Energy Surface2013

    • Author(s)
      H. Tachikawa
    • Organizer
      第33回溶液化学国際会議(33rd International Conference on Solution Chemistry)
    • Place of Presentation
      京都テルサ(京都市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-flakes2013

    • Author(s)
      H. Tachikawa
    • Organizer
      The 4th International Symposium on Organic and Inorganic Electronic Materials
    • Place of Presentation
      石川県立音楽堂(金沢市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Diffusion Dynamics of Alkali ion on Graphene Nano-Flakes2013

    • Author(s)
      H. Tachikawa
    • Organizer
      5th International Conferences on Recent Progress in Graphene Research
    • Place of Presentation
      東京工業大学(東京都目黒区)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] omputer-Aided Molecular Design of Functional Graphene Nano-flakes: DFT Study2013

    • Author(s)
      S.ABE, Y.NAGOYA, and H.TACHIKAWA
    • Organizer
      26th International Microprocesses and Nanotechnology Conference (MNC 2013)
    • Place of Presentation
      ロイトン札幌(札幌市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Structures and Electronic States of Benzophenone-Water Clusters2013

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      第33回溶液化学国際会議(33rd International Conference on Solution Chemistry)
    • Place of Presentation
      京都テルサ(京都市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with GrapheneSurface2012

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      International Conference on Nano-Molecular Electronics (ICNME2012)
    • Place of Presentation
      淡路夢舞台国際会議場(兵庫県)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Computer-Aided Molecular Design of Single Molecule Electronic Devices2012

    • Author(s)
      H. Tachikawa
    • Organizer
      International Conference on Organic Materials for Electronics and Photonics 2012 (KJF2012)
    • Place of Presentation
      東北大学(仙台市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Density Functional Theory Study on the Interaction of Carbon Materials with Radicals2012

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      International Conference on Organic Materials for Electronics and Photonics 2012 (KJF2012)
    • Place of Presentation
      東北大学(仙台市)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Bnad Gap Tuning of the Radical Added Graphene Nano-Flakes2012

    • Author(s)
      H. Tachikawa
    • Organizer
      International Conference on Nano-Molecular Electronics (ICNME2012)
    • Place of Presentation
      淡路夢舞台国際会議場(兵庫県)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] DFT study on interaction of radicals and atoms with graphene surface2012

    • Author(s)
      H. Tachikawa
    • Organizer
      International Symposium on Advances Plasma Science and its Applications for Nitrides and Nanomaterials (ISPlasma2012)
    • Place of Presentation
      中部大学(愛知県)
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] 光によって引き起こされる溶媒和過程の実時間追尾:ダイレクト・アブイニシオMD法 によるアプローチ2011

    • Author(s)
      井山 哲二、田地川 浩人
    • Organizer
      分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] 水素化したフラーレンの電子状態と動的挙動2011

    • Author(s)
      井山哲二、加藤晃一、川畑弘、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] 紫外線によるDNA損傷の理論的研究2011

    • Author(s)
      福澄孝博、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] Diffusion Dynamics of the Li ion on fullerene C602011

    • Author(s)
      H. Tachikawa
    • Organizer
      M & BE 2011
    • Place of Presentation
      Sendai
    • Year and Date
      2011-03-10
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT and Molecular Dynamics (MD) Study on the Interaction of Metal with C60 Surfaces2011

    • Author(s)
      H.Tachikawa
    • Organizer
      21st International Photovoltaic Science and Engineering Conference (PVSEC21)
    • Place of Presentation
      シーホークホテル(福岡)
    • Year and Date
      2011-12-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] 水素化グラフェン表面からの水素分子脱離メカニズム2011

    • Author(s)
      川畑弘、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT Study on the Interaction of radicals and atoms with the graphene surface C602011

    • Author(s)
      H. Fukuzumi, H. Tachikawa
    • Organizer
      M & BE 2011
    • Place of Presentation
      Sendai
    • Year and Date
      2011-03-10
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] カーボンナノチューブとタンパクとの相互作用2011

    • Author(s)
      阿部薫明、小峰梨果、石川紘佑、亘理文夫、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] グラフェン・チップ上の金属原子の電子状態と動的挙動2011

    • Author(s)
      加藤晃一、井山哲二、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT and Molecular Dynamics (MD) Study on the Interaction of Metal with C60 Surfaces2011

    • Author(s)
      H. Tachikawa
    • Organizer
      21st International Photovoltaic Science and Engineering Conference (PVSEC21)
    • Place of Presentation
      Fukuoka
    • Year and Date
      2011-11-30
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT STUDY ON THE INTERACTION OF RADICALS AND ATOMS WITH THE GRAPHENE AND C60 SURFACES2011

    • Author(s)
      T. Fukuzumi, H. Tachikawa
    • Organizer
      21st International Photovoltaic Science and Engineering Conference (PVSEC21)
    • Place of Presentation
      Fukuoka
    • Year and Date
      2011-11-30
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] 水素結合クラスターの電子状態と動的挙動2011

    • Author(s)
      高田知哉、今野勇司、田地川浩人
    • Organizer
      日本化学会北海道支部2011年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2011-02-01
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] Density Functional Theory Study on the Reactions of Fullerene (C60) with Radicals2011

    • Author(s)
      T. Iyama, H. Tachikawa
    • Organizer
      M & BE 2011
    • Place of Presentation
      Sendai
    • Year and Date
      2011-03-10
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] A DFT study on Interaction of Ethylene Carbonate and Nano Carbon Materials2011

    • Author(s)
      S. Abe, Y. Nagoya, F. Warari, H. Tachikawa
    • Organizer
      21st International Photovoltaic Science and Engineering Conference (PVSEC21)
    • Place of Presentation
      Fukuoka
    • Year and Date
      2011-11-30
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT Study on Hydrogen Adsorption/ Desorption Reversible Processes on Graphene Surface2011

    • Author(s)
      H. Kawabata, H. Tachikawa
    • Organizer
      M & BE 2011
    • Place of Presentation
      Sendai
    • Year and Date
      2011-03-10
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DFT Study on the interaction of metal atoms with graphene chip2011

    • Author(s)
      K. Kato, H. Tachikawa
    • Organizer
      M & BE 2011
    • Place of Presentation
      Sendai
    • Year and Date
      2011-03-10
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2010

    • Author(s)
      田地川浩人
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      豊中市(大阪大学)
    • Year and Date
      2010-09-23
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2009

    • Author(s)
      田地川浩人
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学名古屋
    • Year and Date
      2009-09-23
    • Data Source
      KAKENHI-PROJECT-21550002
  • [Presentation] 水クラスターカチオン中のプロトン移動速度:理論的研究

    • Author(s)
      高田知哉, 田地川浩人
    • Organizer
      日本化学会北海道支部2015年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-01-27 – 2015-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Density Functional Theory (DFT) Study on the Reactions of Fullerene (C60) with Radicals

    • Author(s)
      T. Iyama, K. Kato and H. Tachikawa
    • Organizer
      The 6th World Conference on Photovoltaic Energy Conversion (WCPEC-6)
    • Place of Presentation
      Kyoto
    • Year and Date
      2014-11-23 – 2014-11-27
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 対流圏におけるハロカーボンの光分解ダイナミクス

    • Author(s)
      加藤晃一, 井山哲二, 田地川浩人
    • Organizer
      日本化学会北海道支部2015年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-01-27 – 2015-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] ベンゾフェノンへの光照射効果

    • Author(s)
      井山哲二, 加藤晃一, 田地川浩人
    • Organizer
      日本化学会北海道支部2014年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2014-01-27 – 2014-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-Flakes: Density Functional Theory (DFT) Study

    • Author(s)
      H. Tachikawa, T. Fukuzumi and T. Iyama
    • Organizer
      The 19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
    • Place of Presentation
      Nigata
    • Year and Date
      2014-09-01 – 2014-09-05
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] グラフェンと金属との相互作用の理論解明:DFT計算

    • Author(s)
      井山哲二, 加藤晃一, 田地川浩人
    • Organizer
      日本化学会北海道支部2015年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-01-27 – 2015-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 多環芳香族炭化水素と水素原子の反応メカニズム

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      日本天文学会2015春季年会
    • Place of Presentation
      豊中
    • Year and Date
      2015-03-18 – 2015-03-21
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] INTERACTION OF RADICALS AND ATOMS WITH C60 AND GRAPHENE SURFACES: DENSITY FUNCTIONAL THEORY (DFT) STUDY

    • Author(s)
      Hiroto Tachikawa, Takahiro Fukuzumi, and Tetuji Iyama
    • Organizer
      6th World Conference on Photovoltaic Energy Conversation (WCPEC-6)
    • Place of Presentation
      国立京都国際会館(京都市左京区)
    • Year and Date
      2014-11-24 – 2014-11-27
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Functionalization of Graphene Surface with Organic Radicals: A Density Functional Theory (DFT) Study

    • Author(s)
      T. Iyama and H. Tachikawa
    • Organizer
      The 27th International Microprocesses and Nanotechnology Conference (MNC 2014)
    • Place of Presentation
      Fukuoka
    • Year and Date
      2014-11-04 – 2014-11-07
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] グラフェンとマグネシウムとの相互作用の理論解明:DFT計算

    • Author(s)
      加藤晃一, 井山哲二, 田地川浩人
    • Organizer
      日本化学会北海道支部2014年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2014-01-27 – 2014-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Structures and Electronic States of the Radicals Adsorbed on Graphene

    • Author(s)
      Hiroto TACHIKAWA
    • Organizer
      International Microprocesses and Nanotechnology Conference(MNC2014)
    • Place of Presentation
      ヒルトン福岡シーホーク(福岡市中央区)
    • Year and Date
      2014-11-04 – 2014-11-07
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Structures and Electronic States of the Radicals Adsorbed on Graphene

    • Author(s)
      H. Tachikawa
    • Organizer
      The 27th International Microprocesses and Nanotechnology Conference (MNC 2014)
    • Place of Presentation
      Fukuoka
    • Year and Date
      2014-11-04 – 2014-11-07
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface

    • Author(s)
      Tetsuji Iyama, Koichi Kato and Hiroto Tachikawa
    • Organizer
      19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
    • Place of Presentation
      朱鷺メッセ(新潟市中央区)
    • Year and Date
      2014-09-01 – 2014-09-05
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] STRUCTURES AND ELECTRONIC STATES OF THE RADICALS ADSORBED ONGRAPHENE: DENSITY FUNCTIONAL

    • Author(s)
      Hiroto Tachikawa
    • Organizer
      11th International Conference on Nano-Molecular Electronics (ICNME2014)
    • Place of Presentation
      神戸国際会議場(神戸市中央区)
    • Year and Date
      2014-12-17 – 2014-12-19
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] DENSITY FUNCTIONAL THEORY (DFT) STUDY ON THE REACTIONS OF FULLERENE (C60) WITH RADICALS

    • Author(s)
      Tetuji Iyama, Koichi Kato, and Hiroto Tachikawa
    • Organizer
      6th World Conference on Photovoltaic Energy Conversation (WCPEC-6)
    • Place of Presentation
      国立京都国際会館(京都市左京区)
    • Year and Date
      2014-11-24 – 2014-11-27
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] リチウムイオンの脱溶媒和ダイナミクス

    • Author(s)
      阿部薫明, 田地川浩人
    • Organizer
      日本化学会北海道支部2014年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2014-01-27 – 2014-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] ELECTRONIC STATES OF FUNCTIONALIZED GRAPHENE: DENSITYFUNCTIONAL THEORY (DFT) STUDY

    • Author(s)
      Takahiro Fukuzumi, Tetsuji Iyama, Hiroto Tachikawa
    • Organizer
      11th International Conference on Nano-Molecular Electronics (ICNME2014)
    • Place of Presentation
      神戸国際会議場(神戸市中央区)
    • Year and Date
      2014-12-17 – 2014-12-19
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] Electronic States of Functionalized Graphene: Density Functional Theory (DFT) Study

    • Author(s)
      T. Fukuzumi, T. Iyama and H. Tachikawa
    • Organizer
      The 11th International Conference on Nano-Molecular Electronics (ICNME2014)
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2014-12-17 – 2014-12-19
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-Flakes: Density Functional Theory (DFT) Study

    • Author(s)
      Hiroto Tachikawa, Takahiro Fukuzumi and Tetsuji Iyama
    • Organizer
      19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
    • Place of Presentation
      朱鷺メッセ(新潟市中央区)
    • Year and Date
      2014-09-01 – 2014-09-05
    • Data Source
      KAKENHI-PROJECT-24550001
  • [Presentation] 水和結合クラスターへの光照射効果:理論的アプローチ

    • Author(s)
      高田知哉, 田地川浩人
    • Organizer
      日本化学会北海道支部2014年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2014-01-27 – 2014-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Interaction of Radicals and Atoms with C60 and Graphene Surfaces: Density Functional Theory (DFT) Study

    • Author(s)
      H. Tachikawa, T. Fukuzumi and T. Iyama
    • Organizer
      The 6th World Conference on Photovoltaic Energy Conversion (WCPEC-6)
    • Place of Presentation
      Kyoto
    • Year and Date
      2014-11-23 – 2014-11-27
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Structures and Electronic States of the Electronic States of the Radicals Adsorbed on Graphene: Density Functional Theory (DFT) Study

    • Author(s)
      H. Tachikawa and H. Kawabata
    • Organizer
      The 11th International Conference on Nano-Molecular Electronics (ICNME2014)
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2014-12-17 – 2014-12-19
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 水和ペプチドへの宇宙線照射効果

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      日本化学会北海道支部2014年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2014-01-27 – 2014-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface

    • Author(s)
      T. Iyama, K. Kato and H. Tachikawa
    • Organizer
      The 19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
    • Place of Presentation
      Nigata
    • Year and Date
      2014-09-01 – 2014-09-05
    • Data Source
      KAKENHI-PLANNED-25108004
  • [Presentation] 星間分子PAHと水素原子との反応メカニズム

    • Author(s)
      福澄孝博, 田地川浩人
    • Organizer
      日本化学会北海道支部2015年冬季研究発表会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-01-27 – 2015-01-28
    • Data Source
      KAKENHI-PLANNED-25108004
  • 1.  ICHIKAWA Tsumeki (10001942)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 2.  Fukazawa Tomoko (40409496)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 3.  NOMURA HIDEKO (20397821)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 4.  TOMOAKI WATANABE (40324909)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 5.  KOIZUMI Hitoshi (00175324)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 6.  YAMADA KAZUO (30590658)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 4 results
  • 7.  小笠原 正明 (60001343)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 8.  清水 晃 (90002013)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 9.  三浦 均 (50507910)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 10.  渡邊 禎之 (70463065)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 11.  ABE Shigeaki
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 6 results
  • 12.  HAMA Tetsuya
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 13.  NAKAMURA Mariko
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 14.  吉田 靖弘
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 3 results
  • 15.  渡部 直樹
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 16.  香内 晃
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 17.  渡辺 潤一
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 18.  丸本 一弘
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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