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NAKANO Haruyuki  中野 晴之

ORCIDConnect your ORCID iD *help
… Alternative Names

中野 晴之  ナカノ ハルユキ

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Researcher Number 90251363
Other IDs
Affiliation (Current) 2025: 九州大学, 理学研究院, 教授
Affiliation (based on the past Project Information) *help 2016 – 2023: 九州大学, 理学研究院, 教授
2017: 九州大学, 大学院理学研究科, 教授
2015: 九州大学, 理学(系)研究科(研究院), 教授
2015: 九州大学, 大学院理学研究院, 教授
2015: 九州大学, 理学研究科, 教授 … More
2014: 九州大学, 理学研究院, 教授
2011 – 2013: 九州大学, 理学(系)研究科(研究院), 教授
2007 – 2009: KYUSHU UNIVERSITY, Department of Chemistry, Faculty of Scienoes, Professor
2006: 九州大学, 大学院理学研究院, 教授
2003 – 2005: 九州大学, 大学院・理学研究院, 教授
2004: 九州大学, 理学研究院, 教授
2001 – 2002: Graduate School of Engineering, Associate Professor, 大学院・工学系研究科, 助教授
1998 – 2001: The University of Tokyo, Graduate School of Engineering, Lecturer, 大学院・工学系研究科, 講師
1995 – 1997: 東京大学, 大学院・工学系研究科, 助手
1995: 東京大学. 大学院. 工学系研究科, 助手
1994: 東京大学, 工学部, 助手 Less
Review Section/Research Field
Principal Investigator
Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry / Science and Engineering
Except Principal Investigator
Physical chemistry / 工業物理化学 / Physical chemistry / Energy-related chemistry / Science and Engineering / Basic Section 32010:Fundamental physical chemistry-related / Organic chemistry / Chemistry
Keywords
Principal Investigator
理論化学 / 相対論的電子状態理論 / 多配置電子状態理論 / 溶液内擬縮退系 / 液体の積分方程式理論 / 多配置摂動論 / 多配置SCF法 / 非直交密度汎関数法 / 大規模系 / GMC-QDPT … More / 電子相関問題 / 電子状態理論 / シミュレーション手法 / 擬縮退系 / 励起スペクトル / 溶液の積分方程式理論 / 積分方程式理論 / multireference perturbation theory / relativistic effect / electron correlation effect / interface system / large-scale system / electronic structure theory / 多参照摂動論 / 超局在化軌道 / CASVB法 / 相対論的基底関数 / 光分解反応 / 相対論的効果 / 電子相関効果 / インターフェース系 / CT compound / Multiply charged anion / PFMO-DFT method / QCAS-SCF method / Mesoscopic system / Electron correlation / Electronic structure theory / 分子積分 / ELMO-DFT法 / GMC-SCF法 / String Product Space SCF法 / GMC-QDPT法 / 電荷移動錯体 / 多重電荷アニオン / PEMO-DFT法 / QCAS-SCF法 / メゾスコピック系 / 多配置電子状態炉論 / シミュレーション技法 / 核置換 / π共役系 / ポルフィリン / 合成化学 / 摂動論 / 分子軌道法 / 遷移金属 … More
Except Principal Investigator
密度汎関数法 / 相対論効果 / MRMP法 / 多配置摂動法 / 電子状態理論 / MRMP / 分子軌道法 / QCASSCF法 / 電子相関問題 / UTChem / 多参照摂動論 / ポルフィリン / 電荷移動特性 / 電子移動 / 溶媒効果 / 多配置摂動論 / QCAS-SCF法 / RESC法 / RESC / OP / porphyrin / Alternant hydrocarbon / Excited states / CASVB / 励起状態 / density functional theory / MRMP method / molecular orbital method / ab initio method / 分子積分 / ab initio法 / 発光特性 / 吸収特性 / 電気化学特性 / 光物性 / クロスカップリング / 分子内電荷移動 / ジアザポルフィリン / 超音速ジェット / トンネル効果 / 分子物理化学 / 分子理論 / Ab initio分子軌道法 / ab initio分子軌道法 / 溶媒和ダイナミックス理論 / 分極応答理論 / 溶媒和ダイナミックス / エネルギー移動 / 積分方程式理論 / 電子スピン共鳴 / X線結晶構造解析 / 縮環 / π共役 / 複素環 / π拡張 / 二量体 / ラジカル / 酸化還元 / 有機太陽電池 / ターチオフェン / チタナサイクル / ボリル基 / 対アニオン / 重原子効果 / ホスホニウム塩 / 分子内電荷移動特性 / D-π-A型色素 / 蛍光発光特性 / 光電変換効率 / 色素増感太陽電池 / トリアリールアミン / チオフェン / ホスホール / 線形応答理論 / 3D-RISM理論 / フラグメント分子軌道法 / DNA / 構造揺らぎ / 理論化学 / 3D-RISM / FMO / 電荷移動 / tunneling effect / fluorescence / electronic spectrum / proton transfer / hydrogen bond / supersonic jet / excited-state dynamics / excitonic interaction / 分子間振動 / 孤立状態 / 1-アザカルバゾール2量体 / 7-アザインドール2量体 / エキシトン / 電子スペクトル / 蛍光 / プロトン移動 / 励起状態ダイナミクス / 水素結合 / エキシトン相互作用 / ab initio dynamics / correlation effect / long-range corrected functional / linear scaling algorithms / relativistic effects / ab initio molecular orbital theory / 相対論的分子理論効果 / OCAS-SCF / DK3 / DK3法 / OP法 / 相互炭化水素 / CASVB法 / QCAS-SCF method / relativistic effect / multireference perturbation theory / Spherica / electron correlation / electronic structure theory / エネルギー微分法 / 相関汎関数 / 相対論的分子軌道法 / 大規模系 / 高次Douglas-Kroll法 / 多配置SCF法 / SPHERICA / Molecular Integrals / cusp条件 / 密度汎関数 / ポリフィリン / RESC相対論理論 / O-バンド / RESC 相対論理論 / Q-バンド / ポリアセン / Multireference Moeller-Plesset法 / potential energy surface / dynamic reaction path / wave-packet method / multireference perturbation method / time-dependency / 時間依存アプローチ / ポテンシャルエネルギー曲面 / 動的反応経路 / 波束法 / 時間依存 / Density Functional Theory / parallel argorithm / 並列化アルゴリズム / ab inito法 / ジピリン / ホウ素錯体 / 近赤外光 / アザジピリン / 核置換 / ランタノイド錯体 / 多配置理論 / 多電子DKH法 / モデル空間モンテカルロ法 / 相対論的多配置SCF法 / 相対論的F12法 / 密度行列繰り込み群 / 統合電子状態理論 / 蛍光スペクトル / 多重プロヒど移勲 / 電子・振動分光 / ポテンシャル / レーザー分光 / 励起状態プロトン移動 / 分子動力学計算 / ポストハートリーフォック法 / 密度汎関数理論 / 柔軟分子系 / 溶媒和理論 / 化学反応理論 / 統計理論 / Douglas-Kroll法 / 相対論 / ab initio理論 / 光励起 / 表面反応 / NO分解 / MTGプロセス / ゼオライト触媒 / プロトン交換反応 / 水分子吸着反応 / H型ゼオライト / クラスター近似 / メタン分子光解離反応 / 白金表面反応 / 準安定分子 / 6フッ化アニオン / 希土類多価負イオン / ランタニド二核錯体 / 擬縮退 / Abinitio分子軌道法 / ランタニド三塩化物 / 希土類錯体 / 触媒設計 / 分子動力学プログラム / ゼオライト / 脱水素反応機構 / シクロヘキサン / 密度汎関数法(DFT) / Pt表面反応 / 光電子スペクトル / セリウム / 加水分解反応 / リン酸ジェステル結合 / 高エネルギー密度物質 / 4f電子 Less
  • Research Projects

    (29 results)
  • Research Products

    (156 results)
  • Co-Researchers

    (35 People)
  •  溶液内の複雑な擬縮退電子状態のための相対論効果を含む多配置多状態理論の開発と応用Principal Investigator

    • Principal Investigator
      中野 晴之
    • Project Period (FY)
      2021 – 2025
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Kyushu University
  •  Development of electron transfer dynamics theory of biological systems highly incorporating solvent response

    • Principal Investigator
      Yoshida Norio
    • Project Period (FY)
      2019 – 2022
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Nagoya University
      Kyushu University
  •  Development and application of theoretical methods for describing complicated and multiple electronic states of quasi-degenerate systems in solutionPrincipal Investigator

    • Principal Investigator
      Nakano Haruyuki
    • Project Period (FY)
      2018 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Kyushu University
  •  Fusion and development of multiconfigurational electronic state theory and integral equation theory suitable for quasidegenerate systems in solutionPrincipal Investigator

    • Principal Investigator
      NAKANO Haruyuki
    • Project Period (FY)
      2015 – 2018
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  Development of heteroarene-fused and pi-expanded diazaporphyrins as n-type semiconductors

    • Principal Investigator
      MATANO YOSHIHIRO
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Energy-related chemistry
    • Research Institution
      Niigata University
  •  Creation of core-modified azaporphyrins and their application to organic solar cells

    • Principal Investigator
      MATANO Yoshihiro
    • Project Period (FY)
      2013 – 2014
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Energy-related chemistry
    • Research Institution
      Niigata University
  •  Theoretical study on the charge transfer through DNA induced by structural and solvent fluctuation

    • Principal Investigator
      YOSHIDA NORIO
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  Construction of Phosphole-Containing Hybrid pi-Conjugated Molecules and Their Application to Organic Devices

    • Principal Investigator
      Matano Yoshihiro
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Organic chemistry
    • Research Institution
      Niigata University
  •  Combined Electronic Structure Theory of Relativity, quasi-degeneracy, and Electron Correlation Oriented Towards Electric and Magnetic phenomena in molecules

    • Principal Investigator
      HADA Masahiko
    • Project Period (FY)
      2012
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Tokyo Metropolitan University
  •  Development of multiconfigurational electronic structure theory and simulation method for quasidegenerate systems in solutionPrincipal Investigator

    • Principal Investigator
      NAKANO Haruyuki
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  第三周期典型元素を含む核置換ポルフィリンの構造と物性に関する研究Principal Investigator

    • Principal Investigator
      中野 晴之
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyushu University
  •  クラスター内多重プロトン移動ダイナミクスの分光学的研究

    • Principal Investigator
      SEKIIYA Hiroshi
    • Project Period (FY)
      2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyushu University
  •  Spectroscopic study on excitonic interactions in hydrogen-bonded dusters in the gas phase

    • Principal Investigator
      SEKIIYA Hiroshi
    • Project Period (FY)
      2006 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyushu University
  •  電子状態理論と統計理論の融合による柔らかい分子系の理論化学

    • Principal Investigator
      榊 茂好
    • Project Period (FY)
      2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University
  •  The development of accurate electronic structure theory for large systems and its application to interface systemsPrincipal Investigator

    • Principal Investigator
      NAKANO Haruyuki
    • Project Period (FY)
      2003 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      KYUSHU UNIVERSITY
  •  Simulation and Dynamics of Real Chemical Systems

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      2002 – 2005
    • Research Category
      Grant-in-Aid for Specially Promoted Research
    • Review Section
      Chemistry
    • Research Institution
      The University of Tokyo
  •  次世代分子理論の開発

    • Principal Investigator
      平尾 公彦
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (S)
    • Research Field
      工業物理化学
    • Research Institution
      The University of Tokyo
  •  The development of quantitative molecular orbital theory for mesoscopic systems and its application to the initial chemical process of visionPrincipal Investigator

    • Principal Investigator
      NAKANO Haruyuki
    • Project Period (FY)
      2000 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      The University of Tokyo
  •  Development of Molecular Theory for Molecular Design and Reaction Control

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1999 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Development of ab initio molecular orbital program for large-scale molecular systems

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1998 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research (B).
    • Research Field
      工業物理化学
    • Research Institution
      The University of Tokyo
  •  固体表面での吸着反応に関する理論的研究

    • Principal Investigator
      平尾 公彦
    • Project Period (FY)
      1997
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Theoretical Study on the Photoreactions of Biological Compounds

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1997 – 1998
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      工業物理化学
    • Research Institution
      The University of Tokyo
  •  希土類錯体の電子状態や結合に関与するf-電子の役割りの理論的解明

    • Principal Investigator
      平尾 公彦
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Pt表面でのNO吸着特性と直接分解反応に関する理論的研究

    • Principal Investigator
      平尾 公彦
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Time-dependent Approach in Theoretical Chemistry

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1996 – 1997
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Field
      Physical chemistry
    • Research Institution
      The University of Tokyo
  •  希土類錯体の電子状態や結合に関与するf-電子の役割りの理論的解明

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Pt表面でのNO吸着特性と直接分解反応に関する理論的研究

    • Principal Investigator
      平尾 公彦
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Tokyo
  •  Development of parallel ab initio molecular orbital program package

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1995 – 1997
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      The University of Tokyo
  •  遷移金属錯体などの凝縮退系へも適用できる分子理論の開発Principal Investigator

    • Principal Investigator
      中野 晴之
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      The University of Tokyo

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2008 2005 2004 2003 Other

All Journal Article Presentation Book

  • [Book] 基礎化学結合論(基幹教育シリーズ化学)第2版2015

    • Author(s)
      中野 晴之・原田 賢介・大橋 和彦・寺嵜 亨・関谷 博
    • Total Pages
      92
    • Publisher
      学術図書出版社
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Book] 基礎化学結合論2013

    • Author(s)
      中野晴之・原田賢介・大橋和彦・寺嵜亨・関谷博
    • Total Pages
      120
    • Publisher
      学術図書出版社
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Book] Theory and Applications of Computational Chemistry : The First 40 Years2005

    • Author(s)
      H.Nakano
    • Total Pages
      51
    • Publisher
      Elsevier
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15350007
  • [Book] Recent Advances in Multireference-Based Perturbation Theory2003

    • Author(s)
      H.Nakano
    • Total Pages
      5
    • Publisher
      Korean Chemical Society
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15350007
  • [Journal Article] Two-component transformation inclusive contraction scheme in the relativistic molecular orbital theory2024

    • Author(s)
      Tsuzuki Ippei、Inoue Nobuki、Watanabe Yoshihiro、Nakano Haruyuki
    • Journal Title

      Chemical Physics Letters

      Volume: 840 Pages: 141146-141146

    • DOI

      10.1016/j.cplett.2024.141146

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PROJECT-21K18933
  • [Journal Article] 2‐Aryl‐3H‐1,3‐benzazaphosphole Oxides: Synthesis, Optical Properties, and Excited State Intramolecular Proton Transfer2024

    • Author(s)
      Nakagomi Hiroaki、Murayama Nina、Takegami Rika、Fujii Kaori、Kitakado Rio、Kimura Yoshifumi、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Chemistry - A European Journal

      Volume: - Issue: 33

    • DOI

      10.1002/chem.202400807

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Journal Article] Synthesis and Optical Properties of 3,5-Bis(10-phenylanthracen-9-yl)benzene-appended Porphyrins2023

    • Author(s)
      Umemiya Akane、Nakano Haruyuki、Iwaya Nanami、Ikoma Tadaaki、Matano Yoshihiro
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: - Issue: 07n10 Pages: 1241-1252

    • DOI

      10.1142/s1088424623500840

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PROJECT-23K17901, KAKENHI-PUBLICLY-23H03945
  • [Journal Article] Theoretical examination of QED Hamiltonian in relativistic molecular orbital theory2023

    • Author(s)
      Inoue Nobuki、Watanabe Yoshihiro、Nakano Haruyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 159 Issue: 5 Pages: 054105-054105

    • DOI

      10.1063/5.0145577

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Journal Article] Generalized Foldy-Wouthuysen transformation for relativistic two‐component methods: Systematic analysis of two‐component Hamiltonians2023

    • Author(s)
      Inoue Nobuki、Watanabe Yoshihiro、Nakano Haruyuki
    • Journal Title

      Journal of Computational Chemistry

      Volume: 45 Issue: 9 Pages: 523-535

    • DOI

      10.1002/jcc.27251

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Journal Article] Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions2023

    • Author(s)
      Fujiki Ryo、Matsui Toru、Shigeta Yasuteru、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      Chemistry Letters

      Volume: 53 Issue: 1 Pages: 245101-245101

    • DOI

      10.1093/chemle/upad009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PLANNED-22H05089
  • [Journal Article] Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[n]uril of Different Sizes2023

    • Author(s)
      Chiangraeng Natthiti、Nakano Haruyuki、Nimmanpipug Piyarat、Yoshida Norio
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 127 Issue: 16 Pages: 3651-3662

    • DOI

      10.1021/acs.jpcb.3c00343

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PLANNED-22H05089, KAKENHI-PROJECT-19H02677
  • [Journal Article] Improved synthesis of free bases of 5,10,15,20-tetraaryl-5,15-diazaporphyrinoid for conversion to silicon(IV) complexes2023

    • Author(s)
      Suzuki Hiroya、Furukawa Ko、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 97 Issue: 2

    • DOI

      10.1093/bulcsj/uoad022

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PROJECT-23K23329
  • [Journal Article] Selective molecular recognition of amino acids and their derivatives by cucurbiturils in aqueous solution: An MD/3D-RISM study2023

    • Author(s)
      Chiangraeng Natthiti、Nakano Haruyuki、Nimmanpipug Piyarat、Yoshida Norio
    • Journal Title

      Journal of Molecular Liquids

      Volume: 386 Pages: 122503-122503

    • DOI

      10.1016/j.molliq.2023.122503

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PLANNED-22H05089
  • [Journal Article] Application of the reference interaction site model self-consistent field method based on the Dirac-Hartree-Fock wave function to a chemical reaction2023

    • Author(s)
      Kanemaru K、Watanabe Y、Yoshida N、Nakano H
    • Journal Title

      IOP Conference Series: Materials Science and Engineering

      Volume: 1280 Issue: 1 Pages: 012002-012002

    • DOI

      10.1088/1757-899x/1280/1/012002

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PLANNED-22H05089, KAKENHI-PROJECT-19H02677
  • [Journal Article] Synthesis, Structure, and Redox and Optical Properties of 5,10,15,20‐Tetraaryl‐5‐azaporphyrinium Salts2023

    • Author(s)
      Kudoh Yuta、Suzuki Emi、Ochiai Hikari、Ise Kakeru、Kimura Yoshifumi、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Chemistry - A European Journal

      Volume: 29 Issue: 61

    • DOI

      10.1002/chem.202302148

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PROJECT-23K23329
  • [Journal Article] Solvent effects in four‐component relativistic electronic structure theory based on the reference interaction‐site model2022

    • Author(s)
      Kanemaru Kodai、Watanabe Yoshihiro、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      Journal of Computational Chemistry

      Volume: 44 Issue: 1 Pages: 5-14

    • DOI

      10.1002/jcc.27009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PLANNED-22H05089, KAKENHI-PROJECT-19H02677
  • [Journal Article] Computational Analysis of the SARS-CoV-2 RBD?ACE2-Binding Process Based on MD and the 3D-RISM Theory2022

    • Author(s)
      Yoshida Norio、Maruyama Yutaka、Mitsutake Ayori、Kuroda Akiyoshi、Fujiki Ryo、Kanemaru Kodai、Okamoto Daisuke、Kobryn Alexander E.、Gusarov Sergey、Nakano Haruyuki
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 62 Issue: 11 Pages: 2889-2898

    • DOI

      10.1021/acs.jcim.2c00192

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-PUBLICLY-22H04756, KAKENHI-PROJECT-23K20301
  • [Journal Article] Copper(II) Complexes of 10,20-Diaryl-5,15-diazaporphyrin: Alternative Synthesis, Excited State Dynamics, and Substituent Effect on the 1O2-Generation Efficiency2022

    • Author(s)
      Ochiai Hikari、Miura Tomoaki、Ikoma Tadaaki、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 95 Issue: 3 Pages: 427-432

    • DOI

      10.1246/bcsj.20220002

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PUBLICLY-21H05476, KAKENHI-PROJECT-18H01961, KAKENHI-PROJECT-19K05399, KAKENHI-PROJECT-21K04980, KAKENHI-ORGANIZER-20H05862
  • [Journal Article] 9‐(Diphenylphosphoryl)‐10‐(phenylethynyl)anthracene Derivatives: Synthesis and Implications for the Substituent and Solvent Effects on the Light‐Emitting Properties2022

    • Author(s)
      Murayama Nina、Hao Jorolan Joel、Minoura Mao、Nakano Haruyuki、Ikoma Tadaaki、Matano Yoshihiro
    • Journal Title

      ChemPhotoChem

      Volume: 6 Issue: 9

    • DOI

      10.1002/cptc.202200100

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K04980, KAKENHI-ORGANIZER-20H05862
  • [Journal Article] Implementation of solvent polarization in three-dimensional reference interaction-site model self-consistent field theory2022

    • Author(s)
      Yoshida Norio、Yamaguchi Tsuyoshi、Nakano Haruyuki
    • Journal Title

      Chemical Physics Letters

      Volume: 797 Pages: 139579-139579

    • DOI

      10.1016/j.cplett.2022.139579

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19H02677, KAKENHI-PROJECT-21K04980
  • [Journal Article] Synthesis, Optical Properties, and Electrochemical Behavior of 5,10,15,20‐Tetraaryl‐5,15‐diazaporphyrin‐Amine Hybrids2021

    • Author(s)
      Satoh Yuna、Fujita Yutaro、Muramatsu Naoya、Furukawa Ko、Ikoma Tadaaki、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      ChemPlusChem

      Volume: 86 Issue: 10 Pages: 1476-1486

    • DOI

      10.1002/cplu.202100429

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PUBLICLY-21H05476, KAKENHI-PROJECT-18H01961, KAKENHI-PROJECT-21K04980, KAKENHI-ORGANIZER-20H05862
  • [Journal Article] Doubly Strapped Redox-Switchable 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids: Promising Platforms for the Evaluation of Paratropic and Diatropic Ring-Current Effects2021

    • Author(s)
      Ochiai Hikari、Furukawa Ko、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      The Journal of Organic Chemistry

      Volume: 86 Issue: 3 Pages: 2283-2296

    • DOI

      10.1021/acs.joc.0c02433

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-18H01961
  • [Journal Article] A computational method to simulate global conformational changes of proteins induced by cosolvent2021

    • Author(s)
      Tanimoto Shoichi、Tamura Koichi、Hayashi Shigehiko、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      Journal of Computational Chemistry

      Volume: 42 Issue: 8 Pages: 552-563

    • DOI

      10.1002/jcc.26481

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PUBLICLY-20H05098, KAKENHI-PUBLICLY-20H05441, KAKENHI-PROJECT-19H03195, KAKENHI-PROJECT-19H02677
  • [Journal Article] Relativistic two-electron repulsion operator formulas for the Douglas?Kroll method2021

    • Author(s)
      Inoue Nobuki、Watanabe Yoshihiro、Nakano Haruyuki
    • Journal Title

      Chemical Physics Letters

      Volume: 762 Pages: 138158-138158

    • DOI

      10.1016/j.cplett.2020.138158

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Journal Article] Recent Developments of Computational Methods for pKa Prediction Based on Electronic Structure Theory with Solvation Models2021

    • Author(s)
      Fujiki Ryo、Matsui Toru、Shigeta Yasuteru、Nakano Haruyuki、Yoshida Norio
    • Journal Title

      J

      Volume: 4 Issue: 4 Pages: 849-864

    • DOI

      10.3390/j4040058

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19K05381, KAKENHI-PROJECT-21K04980
  • [Journal Article] Synthesis and optical, magnetic, and electrochemical properties of 5,10,15,20-tetraaryl-5,15-diazaporphyrin -- tertiary amine conjugates2020

    • Author(s)
      Sudoh Keisuke、Satoh Yuna、Furukawa Ko、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: 24 Issue: 01n03 Pages: 286-297

    • DOI

      10.1142/s1088424619500822

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-18H01961
  • [Journal Article] Applicability of density functional and wave function theories combined with the three-dimensional reference interaction site model self-consistent field method to the d-d transitions of a transition metal aqua complex2020

    • Author(s)
      Yang C、Watanabe Y、Yoshida N、Nakano H
    • Journal Title

      IOP Conference Series: Materials Science and Engineering

      Volume: 773 Issue: 1 Pages: 012061-012061

    • DOI

      10.1088/1757-899x/773/1/012061

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Journal Article] Implementation of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes2019

    • Author(s)
      Okamoto Daisuke、Watanabe Yoshihiro、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      Chemical Physics Letters

      Volume: 730 Pages: 179-185

    • DOI

      10.1016/j.cplett.2019.05.051

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19H02677
  • [Journal Article] Synthesis of Redox-switchable 5,15-Dialkyl-10,20-diaryl-5,15-diazaporphyrins and Diversification of their N-Alkyl Groups2019

    • Author(s)
      Mutoh Mai、Sudoh Keisuke、Furukawa Ko、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Asian Journal of Organic Chemistry

      Volume: 8 Issue: 3 Pages: 352-355

    • DOI

      10.1002/ajoc.201900085

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-18H01961, KAKENHI-PROJECT-15K05392
  • [Journal Article] Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution2019

    • Author(s)
      Yang Chen、Watanabe Yoshihiro、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 未定 Issue: 15 Pages: 3344-3354

    • DOI

      10.1021/acs.jpca.9b01364

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-16K05519, KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19H02677
  • [Journal Article] Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory2019

    • Author(s)
      Tanimoto Shoichi、Yoshida Norio、Yamaguchi Tsuyoshi、Ten-no Seiichiro L.、Nakano Haruyuki
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 59 Issue: 9 Pages: 3770-3781

    • DOI

      10.1021/acs.jcim.9b00330

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19J11525, KAKENHI-PROJECT-18H03900, KAKENHI-PROJECT-19H02677
  • [Journal Article] Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study2019

    • Author(s)
      Ruankaew Nirun、Yoshida Norio、Watanabe Yoshihiro、Nakayama Akira、Nakano Haruyuki、Phongphanphanee Saree
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 21 Issue: 40 Pages: 22569-22576

    • DOI

      10.1039/c9cp04355a

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-19H02677
  • [Journal Article] Synthesis and properties of redox-switchable zinc complexes of 10,15,20-triaryl-15-aza-5-oxaporphyrin2018

    • Author(s)
      Sudoh Keisuke、Furukawa Ko、Nakano Haruyuki、Shimizu Soji、Matano Yoshihiro
    • Journal Title

      Heteroatom Chemistry

      Volume: 29 Issue: 5-6

    • DOI

      10.1002/hc.21456

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PUBLICLY-17H05160, KAKENHI-PROJECT-18H01961, KAKENHI-PROJECT-15K05392
  • [Journal Article] Redox Switchable 19π and 18π 5,10,20-Triaryl-5,15-diazaporphyrinoid-Nickel(II) Complexes2018

    • Author(s)
      Keisuke Sudoh, Takuroh Hatakeyama, Ko Furukawa, Haruyuki Nakano, Yoshihiro Matano
    • Journal Title

      J. Porphyr. Phthalocyanines

      Volume: 印刷中

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Journal Article] Direct and Regioselective Amination of β-Unsubstituted 5,15-Diazaporphyrins with Amines: A Convenient Route to Near-Infrared-Responsive Diazaporphyrin Sensitizers2018

    • Author(s)
      Omomo, S.; Sugai, T.; Minoura, M.; Nakano, H.; Matano, Y.
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 57 Issue: 14 Pages: 3797-3800

    • DOI

      10.1002/anie.201800471

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-16J07131, KAKENHI-PROJECT-15K13762, KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-15K05392
  • [Journal Article] A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme2018

    • Author(s)
      Fujiki Ryo、Kasai Yukako、Seno Yuki、Matsui Toru、Shigeta Yasuteru、Yoshida Norio、Nakano Haruyuki
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 43 Pages: 27272-27279

    • DOI

      10.1039/c8cp04354j

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-16K05519
  • [Journal Article] β-Functionalization of 5,15-Diazaporphyrins with Phosphorus, Oxygen, and Sulfur-Containing Substituents2018

    • Author(s)
      Sugai Takuma、Minoura Mao、Nakano Haruyuki、Matano Yoshihiro
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 91 Issue: 8 Pages: 1264-1266

    • DOI

      10.1246/bcsj.20180123

    • NAID

      130007434221

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-18H01961, KAKENHI-PROJECT-15K05392
  • [Journal Article] Redox Switchable 19π and 18π 5,10,20-Triaryl-5,15-diazaporphyrinoid-Nickel(II) Complexes2018

    • Author(s)
      Keisuke Sudoh, Takuroh Hatakeyama, Ko Furukawa, Haruyuki Nakano, Yoshihiro Matano
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: 22 Issue: 07 Pages: 542-551

    • DOI

      10.1142/s1088424618500529

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13762, KAKENHI-PROJECT-18K05036, KAKENHI-PROJECT-15K05392
  • [Journal Article] Syntheses, Properties, and Catalytic Activities of Metal(II) Complexes and Free Bases of Redox-Switchable 20π, 19π, and 18π 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids2017

    • Author(s)
      Keisuke Sudoh, Takaharu Satoh, Toru Amaya, Ko Furukawa, Mao Minoura, Haruyuki Nakano, Yoshihiro Matano
    • Journal Title

      Chem. Eur. J.

      Volume: 23 Issue: 64 Pages: 16364-16373

    • DOI

      10.1002/chem.201703664

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-15K05663
  • [Journal Article] Unsymmetrically Substituted D-π-A Type 5,15-Diazaporphyrin Sensitizers: Synthesis and Optical and Photovoltaic Properties2017

    • Author(s)
      Satoshi Omomo, Yukihiro Tsuji, Kenichi Sugiura, Tomohiro Higashino, Haruyuki Nakano, Hiroshi Imahori, and Yoshihiro Matano
    • Journal Title

      ChemPlusChem

      Volume: 印刷中 Issue: 5 Pages: 695-704

    • DOI

      10.1002/cplu.201700051

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-15H00931, KAKENHI-PROJECT-16J07131, KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-15K13762
  • [Journal Article] Nitrogen-Bridged Metallodiazaporphyrin Dimers: Synergistic Effects of Nitrogen Bridges and meso-Nitrogen Atoms on Structure and Properties2017

    • Author(s)
      Masahiro Kawamata, Takuma Sugai, Mao Minoura, Yasuhisa Maruyama, Ko Furukawa, Cole Holstrom, Victor N. Nemykin, Haruyuki Nakano, and Yoshihiro Matano
    • Journal Title

      Chem. Asian J.

      Volume: 12 Issue: 7 Pages: 816-821

    • DOI

      10.1002/asia.201700204

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-15H00931, KAKENHI-PUBLICLY-15H00962, KAKENHI-PROJECT-15K13762, KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-15K05663
  • [Journal Article] Solvatochromism and Preferential Solvation of Brooker's Merocyanine in Water-Methanol Mixtures2017

    • Author(s)
      Yuichi Tanaka, Yukio Kawashima, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      J. Comput. Chem.

      Volume: 38 Issue: 28 Pages: 2411-2419

    • DOI

      10.1002/jcc.24902

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-16K05519, KAKENHI-PROJECT-16K05676, KAKENHI-PUBLICLY-16H00842, KAKENHI-PROJECT-26410030
  • [Journal Article] Redox-Switchable 20π-, 19π-, and 18π-Electron 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoid Nickel(II) Complexes2016

    • Author(s)
      Takaharu Satoh, Mao Minoura, Haruyuki Nakano, Ko Furukawa, Yoshihiro Matano
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 55 Issue: 6 Pages: 2235-2238

    • DOI

      10.1002/anie.201510734

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PUBLICLY-15H00931, KAKENHI-PUBLICLY-15H00962, KAKENHI-PROJECT-25287091
  • [Journal Article] The ion-dependence of carbohydrate binding of CBM36: MD and 3D-RISM study2016

    • Author(s)
      Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 28 Issue: 34 Pages: 344005-344005

    • DOI

      10.1088/0953-8984/28/34/344005

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-16H00778, KAKENHI-PUBLICLY-16H00842, KAKENHI-PROJECT-26810008, KAKENHI-PROJECT-15K05392, KAKENHI-PROJECT-16K05519
  • [Journal Article] Theoretical analysis of complex formation of p-carboxybenzeneboronic acid with a monosaccharide2016

    • Author(s)
      Yuki Seno, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      J. Mol. Liq.

      Volume: 印刷中 Pages: 93-98

    • DOI

      10.1016/j.molliq.2015.12.063

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PUBLICLY-26104526, KAKENHI-PROJECT-25410021
  • [Journal Article] Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture2015

    • Author(s)
      Yukako Kasai, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      J. Chem. Phys.

      Volume: 142 Issue: 20

    • DOI

      10.1063/1.4921432

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PUBLICLY-26104526
  • [Journal Article] Comparison of Electronic Effects of β-Aryl Substituents on Optical and Electrochemical Properties of 5,15-Diazaporphyrin π-Systems2015

    • Author(s)
      Satoshi Omomo, Ko Furukawa, Haruyuki Nakano, Yoshihiro Matano
    • Journal Title

      J. Porphyrins Phthalocyanines

      Volume: 印刷中

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-25620149
  • [Journal Article] Three-Dimensional Reference Interaction Site Model Self-Consistent Field Analysis of Solvent and Substituent Effects on the Absorption Spectra of Brooker's Merocyanine2015

    • Author(s)
      Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      J. Comput. Chem.

      Volume: 36 Issue: 22 Pages: 1655-1663

    • DOI

      10.1002/jcc.23980

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K05392, KAKENHI-PUBLICLY-26104526, KAKENHI-PROJECT-15J04698, KAKENHI-PROJECT-25410021
  • [Journal Article] Comparison of electronic effects of β-aryl substituents on optical and electrochemical properties of 5,15-diazaporphyrin π-systems2015

    • Author(s)
      Satoshi Omomo, Ko Furukawa, Haruyuki Nakano, Yoshihiro Matano
    • Journal Title

      J. Porphyr. Phthalocyanines

      Volume: 19 Issue: 06 Pages: 775-785

    • DOI

      10.1142/s1088424615500509

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Journal Article] N, S, P-Hybrid Donor-π-Acceptor Organic Dyes for Dye-Sensitized Solar Cell : Synthesis, Optical Properties, and Photovoltaic Performances2014

    • Author(s)
      Y. Matano, Y. Hayashi, H. Nakano, H. Imahori
    • Journal Title

      Heteroatom Chem

      Volume: (in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Synthesis and photoreactivity of α-diketone-type precursors of acenes and their use in organic-device fabrication2014

    • Author(s)
      M. Suzuki, T. Aotake, Y. Yamaguchi, N. Noguchi, H. Nakano, K.-I. Nakayama, H. Yamada
    • Journal Title

      J. Photochem. Photobiol. C

      Volume: 18 Pages: 50-70

    • DOI

      10.1016/j.jphotochemrev.2013.10.003

    • NAID

      120006334959

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-25288092, KAKENHI-PROJECT-25288113
  • [Journal Article] N,S,P-Hybrid Donor-pi-Acceptor Organic Dyes for Dye-Sensitized Solar Cell: Synthesis, Optical Properties, and Photovoltaic Performances2014

    • Author(s)
      Yoshihiro Matano, Yukiko Hayashi, Haruyuki Nakano, and Hiroshi Imahori
    • Journal Title

      Heteroatom Chem.

      Volume: 25 Issue: 6 Pages: 533-547

    • DOI

      10.1002/hc.21188

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-25220801, KAKENHI-PROJECT-25288020
  • [Journal Article] Relativistic Multireference Perturbation Theory and ItsSemi-Approximate Second-Order Form2014

    • Author(s)
      鈴木聡, 戎崎遼, 渡邉祥弘, 中野晴之
    • Journal Title

      J. Comput. Chem. Jpn.

      Volume: 13 Issue: 1 Pages: 32-42

    • DOI

      10.2477/jccj.2013-0021

    • NAID

      130003391637

    • ISSN
      1347-1767, 1347-3824
    • Language
      Japanese
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Theoretical analysis of salt effect on intramolecular proton transfer reaction of glycine in NaCl aqueous solution2014

    • Author(s)
      Y. Kasai, N. Yoshida, H. Nakano
    • Journal Title

      J. Mol. Liq

      Volume: (in press) Pages: 32-37

    • DOI

      10.1016/j.molliq.2014.02.013

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-25410021
  • [Journal Article] Covalently Linked 5,15-Diazaporphyrin Dimers: Promising Scaffolds for Highly Conjugated Azaporphyrin π-System2014

    • Author(s)
      Yoshihiro Matano, Daisuke Fujii, Tarou Shibano, Ko Furukawa, Tomohiro Higashino, Haruyuki Nakano, Hiroshi Imahori
    • Journal Title

      Chem. Eur. J.

      Volume: 20 Issue: 12 Pages: 3342-3349

    • DOI

      10.1002/chem.201304626

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018, KAKENHI-PUBLICLY-25109524, KAKENHI-PROJECT-25620149
  • [Journal Article] Solvent effect on excited states of merocyanines : A theoretical study using the RISM-SCF method2013

    • Author(s)
      Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano
    • Journal Title

      Chem. Phys. Lett

      Volume: 583 Pages: 69-73

    • DOI

      10.1016/j.cplett.2013.08.004

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22740279, KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-25410021
  • [Journal Article] Three-dimensional Reference Interaction Site Model Self-consistent Field Study of the Solvation and Electronic Structures of [Cr(H2O)6]3+ in Aqueous Solution2013

    • Author(s)
      S. Fujishige, Y. Kawashima, N. Yoshida, H. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 117 Issue: 34 Pages: 8314-8322

    • DOI

      10.1021/jp405876g

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23225001, KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-25410021, KAKENHI-PROJECT-25870599
  • [Journal Article] Efficient and Accurate Approximation to Relativistic Multireference Perturbation Theory2012

    • Author(s)
      S. Suzuki, R. Ebisuzaki, Y. Kawashima, Y. Watanabe, H. Nakano
    • Journal Title

      Kyushu University Global-COE Program, Science for Future Molecular Systems

      Volume: 5 Pages: 41-43

    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Free Base and Metal Complexes of 5,15-Diaza-10,20-dimesitylporphyrins: Synthesis, Structures, Optical and Electrochemical Properties, and Aromaticities2012

    • Author(s)
      Y. Matano, T. Shibano, H. Nakano, Y. Kimura, H. Imahori
    • Journal Title

      Inorg. Chem.

      Volume: 51 Issue: 23 Pages: 12879-12890

    • DOI

      10.1021/ic301835c

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-24655018, KAKENHI-PUBLICLY-23108708
  • [Journal Article] Retro-Diels-Alder Approach to the Synthesis of π-Expanded Azuliporphyrins and Their Porphyrinoid Aromaticity2012

    • Author(s)
      T. Okujima, T. Kikkawa, H. Nakano, H. Kubota, N. Fukugami, N. Ono, H. Yamada, H. Uno
    • Journal Title

      Chem. Eur. J.

      Volume: 18 Issue: 40 Pages: 12854-12863

    • DOI

      10.1002/chem.201201399

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23350020, KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-24655018
  • [Journal Article] Solvent Effect on the Fluorescence Spectra of Coumarin 120 in Water: A Combined Quantum Mechanical and Molecular Mechanical Study2012

    • Author(s)
      Y. Kawashima, S. Yamamoto, T. Sakata, H. Nakano, K. Nishiyama, R. Akiyama
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 81 Issue: Suppl.A Pages: SA024-SA024

    • DOI

      10.1143/jpsjs.81sa.sa024

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-24655018, KAKENHI-PLANNED-20118007
  • [Journal Article] Nickel (II) and Copper (II) Complexes of β-Unsubstituted 5, 15-Diazaporphyrins and Pyridazine-Fused Diazacorrinoids : Metal-Template Syntheses and Peripheral Functionalizations2012

    • Author(s)
      Yoshihiro Matano
    • Journal Title

      Chem.Eur.J.

      Volume: 18 Issue: 20 Pages: 4250-4257

    • DOI

      10.1002/chem.201200463

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-23108708, KAKENHI-PROJECT-23550018, KAKENHI-PROJECT-24655018
  • [Journal Article] A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals : implementation for electronic excited states2011

    • Author(s)
      Y. Kawashima, H. Nakano, J. Jung, S. Ten-no
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 13 (24) Issue: 24 Pages: 11731-11738

    • DOI

      10.1039/c1cp20438f

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Parallel Implementation of the Four- Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference Functions2011

    • Author(s)
      R. Ebisuzaki, Y. Watanabe, Y. Kawashima, H. Nakano
    • Journal Title

      J. Chem. Theory Comp

      Volume: 7 (4) Issue: 4 Pages: 998-1005

    • DOI

      10.1021/ct2000205

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Identification of geometrical isomers using vibrational circular dichroism spectroscopy : a series of mixed-ligand complexes of diamagnetic Co(III) ions2011

    • Author(s)
      H. Sato, H. Uno, H. Nakano
    • Journal Title

      Dalton Trans

      Volume: 40 (6) Issue: 6 Pages: 1332-1337

    • DOI

      10.1039/c0dt01342k

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Solvent effect on the absorption spectra of coumarin 120 in water : A combined quantum mechanical and molecular mechanical study2011

    • Author(s)
      T. Sakata, Y. Kawashima, H. Nakano
    • Journal Title

      J. Chem. Phys

      Volume: 134 (1) Issue: 1

    • DOI

      10.1063/1.3506616

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Journal Article] Recent advances in ab initio, density functional theory, and relativistic electronic structure theory2005

    • Author(s)
      H.Nakano
    • Journal Title

      Theory and Applications of Computational Chemistry : The First 40 Years, (Elsevier)

      Pages: 507-557

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15350007
  • [Journal Article] Selective catalytic reduction of Nitric Oxide by Ammonia : The activation mechanism2004

    • Author(s)
      Y.Kobayashi, N.Tajima, H.Nakano, K.Hirao
    • Journal Title

      J.Phys.Chem.B 108

      Pages: 12264-12266

    • Data Source
      KAKENHI-PROJECT-14002004
  • [Journal Article] The Most Stable Structure of SiC3 Studied by Multireference Perturbation Theory with General Multiconfiguration Self-Consistent Field Reference Functions2004

    • Author(s)
      Yuki Kurashige, Haruyuki Nakano, Kimihiko Hirao
    • Journal Title

      J.Phys.Chem.A 108

      Pages: 3064-3067

    • Data Source
      KAKENHI-PROJECT-14002004
  • [Journal Article] The -^*Excited States of Long Linear Polyenes Studied by the CASCI-MRMP Method2004

    • Author(s)
      Yuki Kurashige, Haruyuki Nakano, Yoshihide Nakao, Kimihiko Hirao
    • Journal Title

      Chem.Phys.Lett. 400

      Pages: 425-429

    • Data Source
      KAKENHI-PROJECT-14002004
  • [Journal Article] Recent Advances in Multireference-Based Perturbation Theory2003

    • Author(s)
      H.Nakano, K.Hirao
    • Journal Title

      Bull.Korean Chem.Soc. {bf24}

      Pages: 812-816

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15350007
  • [Presentation] 配位子の立体効果が銅錯体の発光強度に与える影響についての理論的考察2023

    • Author(s)
      黒木 博由,鈴木 聡,中野 晴之
    • Organizer
      第17回分子科学討論会2023 大阪
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] 効率的項間交差の実現に向けた高次スピン軌道相互作用の寄与の解析2023

    • Author(s)
      本 将裕,鈴木 聡,中野 晴之
    • Organizer
      第17回分子科学討論会2023 大阪
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] QM/MM/3D-RISMを用いた大環状分子の包接によるTBZ分子のpKaシフトの理論解析2023

    • Author(s)
      金丸恒大,城下景亮,中野晴之,吉田紀生
    • Organizer
      第45回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] タンパク質中アミノ酸残基のプロトン化状態を記述するための pH 一定 MD シミュレーション と液体の統計力学理論の組み合わせ手法の新規開2022

    • Author(s)
      藤木 涼,伊藤 暁,奥村 久士,吉田 紀生,中野 晴之
    • Organizer
      第24回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] 大環状分子の包接によるpKaシフトのQM/MM/3D-RISM解析2022

    • Author(s)
      城下 景亮、吉田 紀生、中野 晴之
    • Organizer
      第24回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] 液体の積分方程式理論と4成分相対論的分子軌道法のハイブリッド法2022

    • Author(s)
      金丸 恒大, 渡邊 祥弘, 吉田 紀生, 中野 晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] CpHMD/3DRISM法によるタンパク質中アミノ酸残基のプロトン化状態の理論的研究2022

    • Author(s)
      藤木 涼,伊藤 暁,奥村 久士,吉田 紀生,中野 晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] hydroxyphenylbenzothiazole誘導体の無輻射失活過程における置換基効果に対する理論的研究2022

    • Author(s)
      鈴木 聡,阪本 将裕,中野 晴之
    • Organizer
      2022年光化学討論会
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] CpHMD/3DRISM法によるタンパク質中アミノ酸残基のプロトン化状態の理論的研究2022

    • Author(s)
      藤木 涼,伊藤 暁,奥村 久士,吉田 紀生,中野 晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] RISM理論と4成分相対論的電子状態理論の組み合わせ手法の開発2022

    • Author(s)
      金丸 恒大,渡邉 祥弘,吉田 紀生,中野 晴之
    • Organizer
      第43回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] 液体の積分方程式理論と4成分相対論的分子軌道法のハイブリッド法2022

    • Author(s)
      金丸 恒大, 渡邊 祥弘, 吉田 紀生, 中野 晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン,RUANKAEW Nirun,PHONGPHANPHANEE Saree,中山 哲,吉田 紀生,中野 晴之
    • Organizer
      第11回CSJ化学フェスタ2021
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 励起状態プロトン移動を起こすヒドロキシフェニルベンゾチアゾール分子の無輻射失活経路2021

    • Author(s)
      鈴木 聡,中野 晴之
    • Organizer
      第15回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] 第7周期pブロック元素一酸化物の結合に関する4成分相対論的計算2021

    • Author(s)
      辻 真樹, 金丸 恒大, 渡邉 祥弘, 中野 晴之
    • Organizer
      第11回CSJ化学フェスタ2021
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン,RUANKAEW Nirun,PHONGPHANPHANEE Saree,中山 哲,吉田 紀生,中野 晴之
    • Organizer
      第11回CSJ化学フェスタ2021
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン,Ruankaew Nirun,Phongphanphanee Saree,中山 哲,吉田 紀生,中野 晴之
    • Organizer
      第15回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン, Nirun Ruankaew, Saree Phongphanphanee, 中山 哲, 吉田 紀生, 中野 晴之
    • Organizer
      第43回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン, Nirun Ruankaew, Saree Phongphanphanee, 中山 哲, 吉田 紀生, 中野 晴之
    • Organizer
      第43回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の検討2021

    • Author(s)
      イ デユン、Nirun Ruankaew、Saree Phongphanphanee、中山哲、吉田紀生、中野晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 単純液体における不均一系積分方程式理論を用いた気液界面溶媒和理論の構築とその応用2021

    • Author(s)
      中島航馬、吉田紀生、中野晴之
    • Organizer
      凝縮系の理論化学
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 励起状態プロトン移動を起こすヒドロキシフェニルベンゾチアゾール分子の無輻射失活経路2021

    • Author(s)
      鈴木 聡,中野 晴之
    • Organizer
      第15回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 第7周期pブロック元素一酸化物の結合に関する4成分相対論的計算2021

    • Author(s)
      辻 真樹, 金丸 恒大, 渡邉 祥弘, 中野 晴之
    • Organizer
      第11回CSJ化学フェスタ2021
    • Data Source
      KAKENHI-PROJECT-21K04980
  • [Presentation] プルシアンブルー類似体のセシウムイオン親和性に関する格子サイズ依存性の理論的検討2021

    • Author(s)
      イ デユン,Ruankaew Nirun,Phongphanphanee Saree,中山 哲,吉田 紀生,中野 晴之
    • Organizer
      第15回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Development of theoretical pKa prediction method in protein with CpHMD /3DRISM method2020

    • Author(s)
      藤木涼,伊藤暁,奥村久士,吉田紀生,中野晴之
    • Organizer
      凝縮系の理論化学2020
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Coumarin 183の励起状態プロトン移動における 溶媒効果に関する研究2020

    • Author(s)
      田畑光一朗,吉田紀生,中野晴之
    • Organizer
      凝縮系の理論化学2020
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 架橋鎖を持つ5,10,15,20-テトラアリール5,15-ジアザポルフィリンの合成2020

    • Author(s)
      落合ひかり、中野晴之、俣野善博
    • Organizer
      第80回有機合成化学協会 関東支部シンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 積分方程式理論における気液界面溶媒和理論への拡張2020

    • Author(s)
      中島航馬,吉田紀生,中野晴之
    • Organizer
      凝縮系の理論化学2020
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Effect of molecular orientational correlations on solvation free energy computed by reference interaction site model method2019

    • Author(s)
      S. Tanimoto, N. Yoshida, S. L. Ten-no, H. Nakano
    • Organizer
      The 24th Joint Seminar of the Kyushu Branch of the CSJ and the Busan Branch of the KCS
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] 液体の積分方程式理論における溶媒和自由エネルギー表式に対する分子配向の影響2019

    • Author(s)
      谷本 勝一, 吉田 紀生, 山口 毅, 天能 精一郎, 中野 晴之
    • Organizer
      第42回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Development of theoretical prediction method of p K a in protein by CpHMD /3DRISM method2019

    • Author(s)
      藤木涼,伊藤暁,奥村久士,吉田紀生,中野晴之
    • Organizer
      第42回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Effect of molecular orientational correlations on solvation free energy computed by reference interaction site model method2019

    • Author(s)
      Shoichi Tanimoto, Norio Yoshida, Tsuyoshi Yamaguchi, Seiichiro L. Ten-no, Haruyuki Nakano
    • Organizer
      The 10th Toyota RIKEN International Workshop on Science of Life Phenomena Woven by Water and Biomolecules
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] The Generalized Occupation-Restricted-Multiple-Active-Space in Multiconfigurational Self-Consistent Field Method with Simple Applications2019

    • Author(s)
      Chen Yang, Yoshihiro Watanabe, and Haruyuki Nakano
    • Organizer
      AMCCS-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Implementation of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes2019

    • Author(s)
      Daisuke Okamoto, Yoshihiro Watanabe, Norio Yoshida, Haruyuki Nakano
    • Organizer
      AMCCS-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] RISM-/3D-RISM-SCFへの状態平均多配置SCF法の準変分的定式化2019

    • Author(s)
      岡本大介,渡邉祥弘,吉田紀生,中野晴之
    • Organizer
      第13回分子科学討論会2019
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Effect of the distributed partial wave expansion on the solvation free energy in the 3D-RISM theory2018

    • Author(s)
      Shoichi Tanimoto, Norio Yoshida, Haruyuki Nakano
    • Organizer
      255th ACS National Meeting & Exposition
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] A Three-Dimensional Reference Interaction Site Model Self-Consistent-Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution2018

    • Author(s)
      Chen Yang, Yoshihiro Watanabe, Norio Yoshida, and Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] 3D-RISM法における溶媒分子配向を取り込んだ溶媒和自由エネルギー表式の評価2018

    • Author(s)
      谷本 勝一, 吉田 紀生, 中野 晴之
    • Organizer
      第12回分子科学討論会2018福岡
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] A Three-Dimensional Reference Interaction Site Model Self-Consistent-Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution2018

    • Author(s)
      Chen Yang, Yoshihiro Watanabe, Norio Yoshida, and Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Development of theoretical pKa prediction method2018

    • Author(s)
      Ryo Fujiki, Yukako Kasai, Yuki Seno, Toru Matsui, Yasuteru Shigeta, Norio Yoshida, Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Development of theoretical pKa prediction method2018

    • Author(s)
      Ryo Fujiki, Yukako Kasai, Yuki Seno, Toru Matsui, Yasuteru Shigeta, Norio Yoshida, Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] 擬縮退摂動論に基づいた論2成分法の評価2018

    • Author(s)
      金丸恒大、井上頌基、渡邊祥弘、東雅大、中野晴之
    • Organizer
      凝縮系の理論化学2018
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] 3D-RISM法における溶媒分子配向を取り込んだ溶媒和自由エネルギー表式の評価2018

    • Author(s)
      谷本 勝一, 吉田 紀生, 中野 晴之
    • Organizer
      第12回分子科学討論会2018福岡
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Development of quantitative pKa prediction method based on quantum chemical method and statistical mechanics theory of liquids2018

    • Author(s)
      藤木涼, 笠井友佳子, 妹尾裕貴, 松井亨, 重田育照, 吉田紀生, 中野晴之
    • Organizer
      凝縮系の理論化学2018
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] Relativistic two-component theory by quasi-degenerate perturbation theory and its numerical assessment2018

    • Author(s)
      Kodai Kanemaru, Nobuki Inoue, Masahiro Higashi, Yoshihiro Watanabe, Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K05036
  • [Presentation] Relativistic two-component theory by quasi-degenerate perturbation theory and its numerical assessment2018

    • Author(s)
      Kodai Kanemaru, Nobuki Inoue, Masahiro Higashi, Yoshihiro Watanabe, Haruyuki Nakano
    • Organizer
      ICMARI
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] 部分波展開法と3D-RISM法の結合による新たな溶媒和自由エネルギー計算式の提案2017

    • Author(s)
      Shoichi Tanimoto, Norio Yoshida, Haruyuki Nakano
    • Organizer
      第55回日本生物物理学会年会
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] New solvation free energy expression for the three-dimensional reference interaction site model combined with the distributed partial wave expansion correction2017

    • Author(s)
      Shoichi Tanimoto, Norio YOSHIDA, Haruyuki NAKANO
    • Organizer
      The 5th Symposium; Studying the Function of Soft Molecular Systems by the Concerted Use of Theory and Experiment
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] Development of a theoretical prediction method for pKa2017

    • Author(s)
      Ryo Fujiki, Yukako Kasai, Norio Yoshida, Toru Matsui, Yasuteru Shigeta, Haruyuki Nakano
    • Organizer
      「柔らかな分子系」国際シンポジウム(第5回公開シンポジウム)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] 部分波展開法と3D-RISM法の結合による新たな溶媒和自由エネルギー計算式の提案2017

    • Author(s)
      谷本 勝一, 吉田 紀生, 中野 晴之
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] アミンによる直接アミノ化を利用した3,7,13,17-テトラアミノ-5,15-ジアザポルフィリンの合成2017

    • Author(s)
      大桃理志・須貝拓馬・中野晴之・俣野善博
    • Organizer
      第27回基礎有機化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13762
  • [Presentation] リン、硫黄、酸素官能基を有する5,15-ジアザポルフィリンの合成と物性2017

    • Author(s)
      須貝拓馬・大桃理志・中野晴之・俣野善博
    • Organizer
      日本化学会第98春季年会
    • Data Source
      KAKENHI-PROJECT-15K13762
  • [Presentation] 擬縮退摂動論に基づく相対論2成分法の定式化2017

    • Author(s)
      金丸恒大、井上頌基、渡邊祥弘、東雅大、中野晴之
    • Organizer
      第11回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] MD及び3D-RSIM法によるCBM36の糖鎖結合に対する イオン種依存性の研究2016

    • Author(s)
      谷本勝一、東雅大、吉田紀生、中野晴之
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸
    • Year and Date
      2016-09-13
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] Ca2+依存性糖質結合モジュールの分子認識におけるCa2+の役割2016

    • Author(s)
      谷本勝一、東雅大、吉田紀生、中野晴之
    • Organizer
      第6回CSJ化学フェスタ2016
    • Place of Presentation
      東京
    • Year and Date
      2016-11-14
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] バイオマス利用に向けた酵素反応解析2015

    • Author(s)
      谷本勝一,東雅大,吉田紀生,中野晴之
    • Organizer
      第6回CMSI研究会
    • Place of Presentation
      東京大学本郷キャンパス,東京都文京区
    • Year and Date
      2015-12-08
    • Invited
    • Data Source
      KAKENHI-PROJECT-25410021
  • [Presentation] β-アミノジアザポルフィリンの合成、反応、および光物性2015

    • Author(s)
      川俣昌弘、大桃理志、中野晴之、俣野善博
    • Organizer
      第26回基礎有機化学討論会
    • Place of Presentation
      愛媛大学・松山大学(愛媛県松山市)
    • Year and Date
      2015-09-23
    • Data Source
      KAKENHI-PROJECT-15K13762
  • [Presentation] Role of calcium ion in molecular recognition process of calcium-dependent carbohydrate-binding module2015

    • Author(s)
      Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano
    • Organizer
      The 4th International Symposium "Dynamical ordering of biomolecular systems for creation of integrated functions
    • Place of Presentation
      西新プラザ、福岡
    • Year and Date
      2015-11-23
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] Role of calcium ion in molecular recognition process of calcium-dependent carbohydrate-binding module2015

    • Author(s)
      Norio Yoshida, Shoichi Tanimoto, Masahiro Higashi, Haruyuki Nakano
    • Organizer
      34rd International Conference on Solution Chemistry
    • Place of Presentation
      Bohemia Technical University, Prague, Czech
    • Year and Date
      2015-08-31
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] バイオマス利用に向けた酵素反応解析2015

    • Author(s)
      谷本勝一、東雅大、吉田紀生、中野晴之
    • Organizer
      第6回CMSI研究会
    • Place of Presentation
      東京大学本郷キャンパス、東京
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] Role of calcium ion in molecular recognition process of calcium-dependent carbohydrate-binding module2015

    • Author(s)
      Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano
    • Organizer
      45th IUPAC World Chemistry Congress
    • Place of Presentation
      BEXCO、釜山、大韓民国
    • Year and Date
      2015-08-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K05392
  • [Presentation] ピロール架橋ジアザポルフィリン二量体の合成と物性2014

    • Author(s)
      大桃理志、中野晴之、俣野善博
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋市
    • Data Source
      KAKENHI-PROJECT-25620149
  • [Presentation] 共有結合で連結されたジアザポルフィリン二量体の合成、物性、および反応性2013

    • Author(s)
      藤井大輔、俣野善博、芝野太郎、中野晴之、今堀 博
    • Organizer
      第24回基礎有機化学討論会
    • Place of Presentation
      東京都
    • Data Source
      KAKENHI-PROJECT-25620149
  • [Presentation] 3D-RISM-SCF法によるメロシアニンの電子状態に対する溶媒効果の解析2013

    • Author(s)
      田中佑一,吉田紀生,中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 3D-RISM-SCF Study of Solvent Effects on Excitation Spectra of Merocyanines2013

    • Author(s)
      Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano
    • Organizer
      33rd International Conference on Solution Chemistry
    • Place of Presentation
      Kyoto
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 相対論的分子軌道法における種々の2成分法の近似精度について2013

    • Author(s)
      井上頌基,鈴木聡,渡邉祥弘,中野晴之
    • Organizer
      理論化学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 相対論的分子軌道法における種々の二成分法の近似精度について2013

    • Author(s)
      井上頌基, 鈴木聡, 渡邉祥弘, 中野晴之
    • Organizer
      第16回理論科学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] Theoretical Analysis of Co-Solvent Effects on Intramolecular Proton Transfer Reaction of Glycine in Water-Acetonitrile Mixture2013

    • Author(s)
      Y. Kasai, N. Yoshida, H. Nakano
    • Organizer
      33rd International Conference on Solution Chemistry
    • Place of Presentation
      Kyoto
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 相対論的分子軌道法における種々の2成分法の近似精度について2013

    • Author(s)
      井上頌基,鈴木聡,渡邉祥弘,中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] ORMAS-MCSCF 法に基づく相対論的多参照摂動法の開発2012

    • Author(s)
      鈴木聡, 渡邉祥弘, 中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] RISM-SCF 法によるメロシアニン類の励起スペクトルに対する溶媒効果と溶媒和構造2012

    • Author(s)
      田中佑一、吉田紀生、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PROJECT-24655018
  • [Presentation] 相対論的分子軌道法における負エネルギースピノールの効果2012

    • Author(s)
      井上頌基、渡邉祥弘、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] RISM-SCF 法によるメロシアニン類の励起スペクトルに対する溶媒効果と溶媒和構造2012

    • Author(s)
      田中佑一, 吉田紀生, 中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 相対論的分子軌道法における負エネルギースピノールの効果2012

    • Author(s)
      鈴木聡、渡邉祥弘、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PROJECT-24655018
  • [Presentation] 多参照摂動法と原子価結合法によるシラベンゼン類の励起状態の解析2012

    • Author(s)
      二宮幸浩、中垣雅之、川島雪生、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PROJECT-24655018
  • [Presentation] 多参照摂動法と原子価結合法によるシラベンゼン類の励起状態の解析2012

    • Author(s)
      二宮幸浩、中垣雅之、川島雪生、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] ORMAS-MCSCF に基づく相対論的多参照摂動法の開発2012

    • Author(s)
      鈴木聡、渡邉祥弘、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Year and Date
      2012-09-18
    • Data Source
      KAKENHI-PROJECT-24655018
  • [Presentation] ORMAS-MCSCFに基づく相対論的多参照摂動法の開発2012

    • Author(s)
      鈴木聡、渡邉祥弘、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] RISM-SCF法によるメロシアニン類の励起スペクトルに対する溶媒効果と溶媒和構造2012

    • Author(s)
      田中佑一、吉田紀生、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] 相対論的分子軌道法における負エネルギースピノールの効果2012

    • Author(s)
      井上頌基、渡邉祥弘、中野晴之
    • Organizer
      分子科学討論会
    • Place of Presentation
      東京、日本
    • Data Source
      KAKENHI-PROJECT-24655018
  • [Presentation] Four-component relativistic multireference perturbation theory2011

    • Author(s)
      H. Nakano
    • Organizer
      7th Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)(招待講演)
    • Place of Presentation
      Tokyo, Japan
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] no-virtual-pair 近似による希ガス原子の相対論的電子相関エネルギーへの影響2011

    • Author(s)
      渡邉祥弘, 井上頌基, 戎崎遼, 中野晴之
    • Organizer
      第5回分子科学討論会
    • Place of Presentation
      岡山
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] Four-component relativistic multireference perturbation theory2011

    • Author(s)
      R. Ebisuzaki, S. Suzuki, Y. Kawashima, Y. Watanabe, H. Nakano
    • Organizer
      7th Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
    • Place of Presentation
      Tokyo
    • Data Source
      KAKENHI-PROJECT-23550018
  • [Presentation] A Theoretical Study on the Electronic Structure of Oligoacenes2008

    • Author(s)
      H. Nakano
    • Organizer
      The 1st CMD International Symposium in Seoul
    • Place of Presentation
      ソウル(韓国)
    • Year and Date
      2008-05-30
    • Data Source
      KAKENHI-PROJECT-20038039
  • [Presentation] 5,15-ジアザポルフィリンの光物性に対するβ-アリール基の置換基効果

    • Author(s)
      大桃理志、中野晴之、俣野善博
    • Organizer
      日本化学会第95春季年会
    • Place of Presentation
      日本大学船橋キャンパス(船橋市)
    • Year and Date
      2015-03-26 – 2015-03-29
    • Data Source
      KAKENHI-PROJECT-25620149
  • [Presentation] ヘテロール架橋ジアザポルフィリン二量体の合成と物性

    • Author(s)
      大桃理志、古川貢、中野晴之、俣野善博
    • Organizer
      第25回基礎有機化学討論会
    • Place of Presentation
      東北大学川内北キャンパス(仙台市)
    • Year and Date
      2014-09-07 – 2014-09-09
    • Data Source
      KAKENHI-PROJECT-25620149
  • 1.  HIRAO Kimihiko (70093169)
    # of Collaborated Projects: 12 results
    # of Collaborated Products: 3 results
  • 2.  YAMASHITA Koichi (40175659)
    # of Collaborated Projects: 6 results
    # of Collaborated Products: 0 results
  • 3.  TAKETSUGU Tetsuya (90280932)
    # of Collaborated Projects: 6 results
    # of Collaborated Products: 0 results
  • 4.  TSUNEDA Takao (20312994)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 0 results
  • 5.  NAKAJIMA Takahito (10312993)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 0 results
  • 6.  MATANO Yoshihiro (40231592)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 12 results
  • 7.  WATANABE Yoshihiro (20315055)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 13 results
  • 8.  YOSHIDA Norio (10390650)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 28 results
  • 9.  SEKIIYA Hiroshi (90154658)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 10.  SAKOTA Kenji (80346767)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 11.  KAWASHIMA Yukio (90452739)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 7 results
  • 12.  HADA Masahiko (20228480)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 13.  TENNO Seiichiro (00270471)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 14.  YANAI Takeshi (00462200)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 15.  OBARA Shigeru (80160935)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 16.  NISHIYAMA KATSURA (40283725)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 17.  KIMURA Yoshifumi (60221925)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 18.  IMAHORI Hiroshi (90243261)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 1 results
  • 19.  榊 茂好 (20094013)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 20.  北浦 和夫 (30132723)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 21.  永瀬 茂 (30134901)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 22.  古賀 伸明 (80186650)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 23.  山口 毅 (80345917)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 24.  CEDERBAUM Lo
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 25.  HANDY Nichol
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 26.  NICHOLAS C.Handy
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 27.  LORENZ S.Cederbaum
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 28.  LOERNZ Ceder
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 29.  NICHOLAS Han
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 30.  諸熊 奎治
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 31.  CARBO Ramon
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 32.  YAMADA Hiroko
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 33.  奥島 鉄雄
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 34.  宇野 英満
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 35.  東 雅大
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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