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Iwata Suehiro  岩田 末廣

ORCIDConnect your ORCID iD *help
… Alternative Names

IWATA Suehiro  岩田 末廣

宇理須 恒雄  ウリス ツネオ

岩田 末広  イワタ スエヒロ

岩田 未廣  イワタ スエヒロ

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Researcher Number 20087505
External Links
Affiliation (Current) 2022: 分子科学研究所, , 名誉教授
2022: 慶應義塾大学, 理工学部(矢上), 訪問教授
Affiliation (based on the past Project Information) *help 2016 – 2019: 慶應義塾大学, 理工学部(矢上), 訪問教授
2015: 慶應義塾大学, 理工学部, 訪問教授
2013 – 2014: 慶應義塾大学, 理工学部, 教授
2012 – 2013: 慶應義塾大学, 理工学部, 訪問教授
2011: 公益財団法人豊田理化学研究所, その他部局等, その他 … More
2010: 財団法人豊田理化学研究所, フェロー
2009 – 2010: Toyota Physical & Chemical Research Institute, フェロー
2008: Toyota Physical & Chemical Research Institute, フェロー
2004 – 2007: Hiroshima University, Graduate School of Science, Specially appointed professor, 大学院・理学研究科, 特任教授
2006: 広島大学, 大学院理学研究科, 特任教授
2001 – 2003: Faculty of University Evaluation and Researeh, Profeseor, 構・評価研究部, 教授
2001: 大学評価・学位授与機, 構, 教授
2001: Faculty of University Evaluation and Research, NIAD, Education and Researoh Evaluation Division, Professor, 評価研究部, 教授
2000: 分子科学研究所, 教授
2000: Hiroshima Univ., Graduate School of Science, Professor, 大学院・理学研究科, 教授
2000: Hiroshima University, Chemistry Department, Professor., 理学研究科, 教授
1998 – 1999: 東京大学, 分子科学研究所, 教授
1993 – 1999: 岡崎国立共同研究機構, 分子科学研究所, 教授
1994: 分子科学研究所, 教授
1993: 慶応大学, 理工学部, 教授
1993: 慶応義塾大学, 理工学部・分子科学研究所, 教授
1991 – 1993: 慶應義塾大学, 理工学部, 教授
1991 – 1992: Keio Univ.,Science, Professor, 理工学部, 教授
1991: 慶岡大学, 理工学部, 教授
1991: 慶應大学, 理工学部, 教授
1990: 慶応大学, 理工学部, 教授
1988: Department of Chemistry, Faculty of Science and Tech.. Keio University, 理工学部, 教授
1986 – 1988: 慶応義塾大学, 理工学部, 教授
1986 – 1987: 慶応義塾大学, 理工学部・化学科, 教授
1986: 慶応大, 理工学部, 教授 Less
Review Section/Research Field
Principal Investigator
Physical chemistry / Physical chemistry / 構造化学 / 物理化学一般 / Science and Engineering
Except Principal Investigator
Physical chemistry / Physical chemistry / 物理化学一般 / 有機化学一般 / Science and Engineering / 構造化学
Keywords
Principal Investigator
計算化学 / 理論化学 / 分子間相互作用 / 基底関数欠損誤差 / 水素結合 / 量子化学計算 / 水クラスター / 数値解法 / 分子軌道理論 / 量子化学理論 … More / 酸素分子 / 励起状態 / 化学反応理論 / Computational Chemistry / 分子クラスター / 水クラスター負イオン / シュレディンガ-方程式 / 時間依存 / 光解離 / 放射会合 / 超分極率 / 波長依存 / 配置間相互作用 / 非経験的分子軌道法 / 振動子強度 / 共鳴周波数 / 電子相関理論 / ファン・デア・ワールス力 / 分散項 / 希ガス原子間相互作用 / counterpoise procedure / ファン・デア・ワールス項 / 水2量体 / 電荷移動項 / ゲストーホスト / 重水素効果 / 電荷移動相互作用 / 分散相互作用 / 気体関数欠損誤差 / スピン軌道相互作用 / 水素化ホウ素リチウム / 水素貯蔵化合物 / 分子錯体 / 接触型電荷移動吸収帯 / 非経験的分子軌道法プログラム / エキシマー発光 / 電荷移動 / ベリリウム / ベリリウム酸化物 / 共鳴状態 / フランク / コンドン因子 / Theory of Chemical Reaction / Theoretical Chemistry / 金属クラスター / 多電子理論 / 光電子スペクトル / クラスター内反応 / metal cluster / many-electron theory / photoelectron spectroscopy / water cluster / reacton in clusters / 水クラスター錯体 / Quantum Chemistry / Molecular Clusters / Water Clusters / Photoelectron Spectrum / 一酸化炭素 / 振動回転スペクトル / 1族金属イオン / ヒドロキシラジカル / 炭化水素 / 基底関数欠損 / 摂動論 / 飽和炭化水素 / イソプレン / 一酸化窒素 / オキソニウム / 水和クラスター / 遷移確率 / 大気化学 / 揮発性有機化合物 / carbon monoxide / vibration rotation spectra / water cluster anion / group 1 metal atom / hydroxyl radical / hydrocarbon / basis set superposition error / perturbation theory / 金属-水クラスター / 電子スペクトル / 調和振動数 / 電子-水素結合 / 金属水クラスター錯体 / metal-water cluster / quantum chemical calculations / water cluster anions / electronic spectra / harmonic frequency / hvdrogen bond / electron-hydrogen bond / 分子軌道法 / 摂動法 / 射影演算子 / 希ガスクラスター / 局所射影 / クラスター / 一電子物理量 / Molecular Orbital / Perturbation theory / Molecular interaction / Projection operator / Rare gas clusters / Molecular cluster / 非直交分子軌道 / ハートリー・フォック条件 / 局所射影分子軌道 / 摂動展開 / 電子相関 / 局所励起軌道 / 余剰電子 / エレクトライド / Non-orthogonal molecular orbital / Hartree-Fock Conditions / Locally projected molecular orbital / Perturbation expansion / Basis set superposition error / Electronic Correlation / Local excited orbital / Excess electron / ハートリー・ホック方程式 / 有限差分法 / 有限要素法 / 2次元シュレディンガー方程式 / プロトン移動 / ランチョス漸化式法 / ランチョス連化式法 / 直線分子 / シュレジンガー方程式の数値解法 / 円筒座標 / Numerical Solution / Hartree-Fock Equation / Finite Difference Method / Finite Element Method / Two-Dimensional Schrodinger Equation / Proton Transfer / Recursive Method … More
Except Principal Investigator
化学反応 / 励起状態 / 反応動力学 / Chemical Reaction / Photodissociation / 光解離 / 非経験的分子軌道法 / 星間分子 / ab initio分子軌道法 / イオン分子反応 / 分子構造 / 回転定数 / 多電子理論 / 量子化学計算 / 電子状態 / 量子化学 / 複素基底関数法 / 振動数依存分極率 / 光イオン化断面積 / 非同次シュレディンガー方程式 / 反応性散乱 / 光解離反応 / 化学反応動力学 / Reactive Scattering / SAC / 電子状態理論 / 電子相関 / ポテンシャルエネルギー曲面 / 非断熱遷移 / Reaction dynamics / 水和金属錯体 / 光電子スペクトル / 水和ナトリウム二量体 / イオン解離 / オクテット則 / 配位水交換反応 / 会合型遷移状態 / 水和金属原子 / 水和金属イオン / イオン化ポテンシャル / 水クラスタ- / 反応素過程 / 世界理論有機化学者会議 / 国際会議 / 企画 / 理論有機化学 / 分子集合体 / ダイナミクス / 分子軌道法 / FeCO / 解離性再結合反応:HCNH^++e^- / 放射会合反応 / 位相空間統計理論 / リドベルグ状態 / 理論計算 / アルゴンクラスター / 構造最適化 / 遷移状態 / Gradient Extremal Path / DIM法 / 反応経路 / 大気環境科学 / 数学モデリング / 炭化水素 / 対流圏 / 大気化学反応 / 硫黄化合物 / エアロゾル / アミノ酸 / コンフォマー / 機能性分子 / 超音速分子線 / 二重共鳴レーザー分光 / 赤外スペクトル / 水和 / 生体分子 / レーザー蒸発 / 質量分析 / 二重共鳴分光 / 機能成分子 / コンフォメーション / 超音速ジェット / 赤外分光 / 水和構造 / L-チロシン / 水和クラスター / 複素座標法 / 光イオン化 / 自動イオン化 / 解析的微分法 / 複素Slater型軌道 / 複素Gauss型軌道 / even-tempered 基底関数 / 分子間相互作用 / 軌道指数最適化 / 水素結合ネットワーク / 解析的微分 / Dirichlet型境界条件 / Laplace方程式 / 半古典理論 / 電子状態緩和 / 水の集団運動 / 溶液内反応 / 反応理論 / 気相素反応 / 電子励起状態の緩和 / 反応系の集団運動 / Reaction Dynamics / Semicalssical Theory / Electronic Relaxation / Collective Motion / Reactions in Solution / 触媒反応 / SAC-CI法 / MRMP法 / 金属クラスター / 金属錯体 / 励起分子 / エネルギー微分法 / 金属錯体反応 / ポテンシャルエネルギー面 / 摂動論 / 触媒作用 / ab initio MO / Quantum Chemistry / Excited state / Catalytic Reaction / SAC-CI method / MRMP method / Metal Cluster / Metal Complex / 画像観測 / レーザー / 共鳴多光子イオン化 / 動的共鳴 / 画像解析 / 共鳴 / レーザー分光 / 量子力学 / 画像観測法 / エテレン / Imaging / Laser / Resonance Enhanced Multiphoton Ionization / Dynamical Resonance / Computer Tomography / 放射光利用化学 / 物質化学 / 電子構造動力学 / 分子和クラスター / 半導体表面 / 分子性固体 / 分子計算化学 / 高分解能分光 / 自由電子レーザー / 多次元トンネル / 放射光・レーザー2重共鳴 / 星間分子生成 / SOR Application / material chemistry / electronic structure / molecular cluster / semicondcuctor surface / molecular solid / 波束動力学 / フラクタル・ノイズ / 低温衝突 / リュードベリ-状態 / 溶液内量子動力学 / 超励起分子 / 分子クラスター / chemical reaction dynamics / photo dissociation / wave packet dynamics / potential energy surface / fractal noise / nonadiabatic・transition / cold collision / オゾン / 酸素 / 振動励起分子 / 光電子 / フェムト秒 / ピラジン / 光分解 / 欠損 / 成層圏 / Ozone deficit / Oxygen / Vibrationally - excited molecules / 分子物理化学 / 理論化学 / 分子設計 / 反応制御 / Molecular Physical Chemistry / Theoretical Chemistry / Electronic structure theory / Molecular design / Reaction control / 凝縮系 / ダイナミックス / 量子効果 / 特異性 / 揺らぎ / 複雑系 / 生体分子反応 / 溶液内化学反応 / 量子液体 / 複雑化学系 / 生体高分子反応 / 化学反応ダイナミックス / 多様性 / 特異性の発現 / 超高速分光法 / 電荷移動 / Condenced Phase / Dynamics / Liquid Phase Reaction / Quatum Effects / Fluctuations / Complex Systems / Biomolecular Reactions / Liquid Phase Reactions / 無輻射遷移 / 有限要素法 / 超励起状態 / 量子欠損理論 / 共鳴多光子過程 / エネルギー緩和 / 分子動力学法 / 溶液 / マスター方程式 / クラスター / 固体表面散乱 / 多光子過程 / 固体表面 / Nonradiative transition / Finite element method / Superexcited state / Quantum defect theory / Resonant multiphoton process / Nonadiabatic transition / Energy relaxation / Molecular dynamics method / Solution / Master equation / Cluster / 有機起伝導体 / 線形ポリエレ / クラスター展開法 / 非経験的方法 / ファンデルワールス分子錯体 / 反応経路解析 / 直接探索法 / クラスター展開 / ポテンシャル・エネルギー面 / ソリトン / 前期解離機構 / 多配置自己無撞着場の方法 / cluster expansion / electron correlation effect / organic superconductor / proton transfer / Chemical reaction path / propagator method / linear polyene / 光イオン化微分断面積 / 2ポテンシャル公式 / 相対論効果 / 多極子展開 / 局所射影分子軌道摂動論 / 分子間相互作用理論 / 非同次ディラック方程式 / 多重極効果 / 水分子クラスター / 水素結合強度 / X線領域光電子分光 / 多重極場 / ディラックハミルトニアン / スピン軌道配置間相互作用法 / 複素ガウス型基底関数 / Dyson振幅 / スピン軌道相互作用 / 負イオン光電子スペクトル / 局所射影分子軌道法 / 複素スレーター型基底関数 / 自由完員関数法 / ビス(シクロオクタテトラエン)ランタノイド錯体 / 原子・分子物理 / 共鳴状態 / 微分断面積 Less
  • Research Projects

    (35 results)
  • Research Products

    (221 results)
  • Co-Researchers

    (77 People)
  •  Theoretical study of resonance states and photoionization of atoms and molecules

    • Principal Investigator
      Yabushita Satoshi
    • Project Period (FY)
      2016 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Keio University
  •  Theoretical study of photoionization cross sections optimized by the analytical derivative method within the complex coordinate approach.

    • Principal Investigator
      Yabushita Satoshi
    • Project Period (FY)
      2012 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Keio University
  •  Development and Application of Electron Correlation Theory Suitable for Molecular Interaction StudyPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      2011 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Keio University
      Toyota Physical & Chemical Research Institute
  •  Theory of Molecular Interaction and Its Application to Studies of Molecular ClustersPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Toyota Physical & Chemical Research Institute
  •  Laser spectroscopic study on conformer selective photo-chemistry and complexation of amino acids and related molecules

    • Principal Investigator
      EBATA Takayuki (EBATA Takayuki Takayuki)
    • Project Period (FY)
      2006 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Hiroshima University
  •  Molecular orbital theories for removing the basis set superposition error in the molecular interaction energy and the application to the study on the molecular clustersPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hiroshima University
  •  Development of a new molecular orbital theory for avoiding the basis set superposition error in the molecular interaction energyPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      2002 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      HIROSHIMA UNIVERSITY
      National Institution for Academic Degrees and University Evaluation
  •  大気環境における化学反応素過程の解明

    • Principal Investigator
      川崎 昌博
    • Project Period (FY)
      2000
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University
  •  Theoretical Chemistry of Molecular Processes in Atmospheric EnvironmentPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      1999 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      National Institution for Academic Degrees
      Hiroshima University
      Okazaki National Research Institutes
  •  The water molecules trapped by the excess electronPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      1999 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hiroshima University
      Okazaki National Research Institutes
  •  Molecular Physical Chemistry for Molecular Design and Reaction Control

    • Principal Investigator
      HIRAO Kimihiko
    • Project Period (FY)
      1998 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Reaction Dynamics in Manybody Chemical Systems---Complexity and Specificity of Chemical Dynamics and its Quantum Effects---

    • Principal Investigator
      OHMINE Iwao
    • Project Period (FY)
      1998 – 2001
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (B)
    • Research Institution
      Nagoya University
  •  Elucidation of Molecular Origin of Ozone Deficit

    • Principal Investigator
      SUZUKI Toshinori
    • Project Period (FY)
      1997 – 1998
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Field
      Physical chemistry
    • Research Institution
      Okazaki National Research Institutes
  •  Molecular Spectroscopy and Chemical Reactions of Molecular Clusters : Computational StudiesPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      1997 – 1998
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      OKAZAKI NATIONAL RESEARCH INSTITUTES
  •  アルゴンクラスターイオンの光解離動力学

    • Principal Investigator
      IKEGAMI Tsutomu
    • Project Period (FY)
      1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Okazaki National Research Institutes
  •  量子化学計算による星間分子の構造と化学反応の理論的予測

    • Principal Investigator
      平野 恒夫
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  Collaborative Research in Five Fields of Molecular Science

    • Principal Investigator
      ITO Mitsuo
    • Project Period (FY)
      1994 – 1995
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      Okazaki National Research Institute
  •  Studies on Chemical Reaction Dynamics

    • Principal Investigator
      NAKAMURA Hiroki
    • Project Period (FY)
      1994 – 1995
    • Research Category
      Grant-in-Aid for international Scientific Research
    • Research Institution
      Okazaki National Research Institute
  •  Theoretical Studies of Electronic Structure of Metal ClustersPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      OKAZAKI NATIONAL RESEARCH INSTITUTES
      Keio University
  •  Search For Dynamical Resonance In Chemical Reaction

    • Principal Investigator
      SUZUKI Toshinori
    • Project Period (FY)
      1993 – 1994
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Okazaki National Research Institutes
  •  高精度周波依存超分極率計算法の開発と実用化Principal Investigator

    • Principal Investigator
      岩田 末廣
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      物理化学一般
    • Research Institution
      Keio University
  •  Many Electron Theory for Molecular System

    • Principal Investigator
      NAKATSUJI Hiroshi
    • Project Period (FY)
      1992 – 1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Kyoto University
  •  Theory of Chemical Reaction-Computational ApproachPrincipal Investigator

    • Principal Investigator
      IWATA Suehiro, 諸熊 奎治
    • Project Period (FY)
      1992 – 1996
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      OKAZAKI National Research Institutes
  •  水和した金属原子、イオン及びそれらのクラスタ-の構造と動的挙動

    • Principal Investigator
      橋本 健朗
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Okazaki National Research Institutes
  •  量子化学計算による星間分子の構造と化学反応の理論的予測

    • Principal Investigator
      平野 恒夫
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Ochanomizu University
  •  第3回世界理論有機化学者会議の為の重点研究課題に関する企画

    • Principal Investigator
      MOROKUMA Keiji
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Co-operative Research (B)
    • Research Field
      有機化学一般
    • Research Institution
      Okazaki National Research Institutes
  •  化学反応理論ー理論計算によるアプロ-チ

    • Principal Investigator
      NAKATSUJI Hiroshi
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Co-operative Research (B)
    • Research Institution
      Kyoto University
  •  数値解法を用いた多原子分子の光解離過程とその逆過程の理論的研究Principal Investigator

    • Principal Investigator
      岩田 末廣
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for General Scientific Research (C)
    • Research Field
      構造化学
    • Research Institution
      Keio University
  •  水和した金属原子、イオン及びそれらのクラスタ-の構造と動的挙動

    • Principal Investigator
      橋本 健朗
    • Project Period (FY)
      1990
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The Institute of Physical and Chemical Research
  •  Theories of Chemical Reaction Dynamics

    • Principal Investigator
      KATO Shigeki
    • Project Period (FY)
      1989 – 1991
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      物理化学一般
    • Research Institution
      KYOTO UNIVERSITY
      The University of Tokyo
  •  酸素分子を含む分子錯体の光化学の理論的研究Principal Investigator

    • Principal Investigator
      岩田 末廣
    • Project Period (FY)
      1988
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Keio University
  •  酸素分子錯体の励起状態のダイナミックスPrincipal Investigator

    • Principal Investigator
      岩田 末廣
    • Project Period (FY)
      1987
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Keio University
  •  Development of pioneering theories of dynamics and interdisciplinary studies of chemical reaction phenomena

    • Principal Investigator
      NAKAMURA Hiroki
    • Project Period (FY)
      1986 – 1987
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      物理化学一般
    • Research Institution
      Okazaki National Research Institutes
  •  Design of New Methods for the Theory of Structure and Reaction of Excited Molecules.

    • Principal Investigator
      I'HAYA Yasumasa J.
    • Project Period (FY)
      1986 – 1987
    • Research Category
      Grant-in-Aid for Co-operative Research (A)
    • Research Field
      構造化学
    • Research Institution
      The University of Electro-Communications
  •  The Numerical Solution of Molecular Schrodinger Equations.Principal Investigator

    • Principal Investigator
      SUEHIRO IWATA
    • Project Period (FY)
      1986 – 1987
    • Research Category
      Grant-in-Aid for General Scientific Research (B)
    • Research Field
      構造化学
    • Research Institution
      Keio University

All 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002

All Journal Article Presentation

  • [Journal Article] Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor-hydrogen bonds in polyhedral water clusters, (H2O)n, n=8, 20 and 24.2016

    • Author(s)
      Suehiro Iwata, Dai Akase, Misako Aida, Sotiris Xantheas
    • Journal Title

      PCCP

      Volume: 18 Pages: 19746-19756

    • DOI

      10.1039/c6cp02487d

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Journal Article] Hydrogen-Bonded Networks in Hydride Water Clusters, F-(H2O)n and Cl-(H2O)n: Cubic Form of F-(H2O)7 and Cl-(H2O)72015

    • Author(s)
      Chiaki Ishibashi, Suehiro Iwata, Kaoru Onoe, Hidenori Matsuzawa
    • Journal Title

      Journal of Physical Chemistry, A

      Volume: 119 Pages: 10241-10233

    • DOI

      10.1021/acs.jpca.5b07244

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Journal Article] Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)n, n≦25. Importance of cooperation of charge-transfer and dispersion terms2014

    • Author(s)
      Suehiro Iwata
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: (in press) Pages: 11310-11317

    • DOI

      10.1039/c4cp01204f

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031, KAKENHI-PROJECT-24550032
  • [Journal Article] Quantum Chemical Studies of M(BH_4)_n and M(AlH_4)_n , M=Li and Na2014

    • Author(s)
      Yumie Kawasaki, Chiaki Ishibashi, Suehiro Iwata, Hidenori Matsuzawa
    • Journal Title

      Comput. Theor. Chem

      Volume: (accepted)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Cooperative roles of charge-transfer and dispersion terms in hydrogen-bond networks of (H_2O)_n , n=6, 11 and 162013

    • Author(s)
      Suehiro Iwata, Pradipta Bandyopadhyay, Sotiris S. Xantheas
    • Journal Title

      J. Phys.Chem. A

      Volume: 117 Pages: 6641-6651

    • DOI

      10.1021/jp403837z

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Application of the dispersion energy correction to the third order single excitation perturbation theory based on the locally projected molecular orbitals: weak electron-donor-acceptor complexes and water clusters2012

    • Author(s)
      Suehiro Iwata
    • Journal Title

      豊田研究報告

      Volume: 65 Pages: 1-8

    • NAID

      40019352473

    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Energy analysis of weak electron- donor- acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms2012

    • Author(s)
      Suehiro Iwata
    • Journal Title

      Physical Chemistry and Chemical Physics

      Volume: 14 Pages: 7787-7794

    • DOI

      10.1039/c2cp40217c

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Ab inito molecular orbital studies on paracyclophanes and siloxane-bridged paracyclophan2012

    • Author(s)
      Yoshiaki Amatatsu
    • Journal Title

      J. Phys. Chem. A

      Volume: 116 Pages: 10182-10193

    • DOI

      10.1021/jp306416x

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550006, KAKENHI-PROJECT-23550031
  • [Journal Article] Dispersion correction energy based on locally projected molecular orbitals2011

    • Author(s)
      S.Iwata
    • Journal Title

      J.Chem.Phys. (in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Dispersion Correction Energy Based on Locally Projected Molecular Orbitals,2011

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Chem. Phys.

      Volume: 135 Pages: 94101-94101

    • DOI

      10.1063/1.3629777

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Ab initio studies of aromatic excimers with multi-configurational quasi-degenerate perturbation theory2011

    • Author(s)
      S.Shirai, S.Iwata, T.Tani, S.Inagaki
    • Journal Title

      J.Phys.Chem. A115(in press)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Ab initio Studies of Aromatic Excimers with Multiconfigurational Quasi-degenerated Perturbation Theory2011

    • Author(s)
      Shirai, Soichi, Iwata, Suehiro, Tani, Takao, Inagaki, Shinji
    • Journal Title

      J.Phys.Chem.A

      Volume: 115 In press

    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Ab initio Studies of Aromatic Excimers with Multiconfigurational Quasi-degenerated Perturbation Theory2011

    • Author(s)
      Soichi Shirai, Suehiro Iwata, Takao Tani, Shinji Inagaki
    • Journal Title

      J. Phys. Chem. A

      Volume: 115 Pages: 7687-7699

    • DOI

      10.1021/jp201130k

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Absolutely local occupied and excited molecular orbitals in the 3rd order single excitation perturbation theory for molecular interaction2010

    • Author(s)
      Iwata, Suehiro
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 8697-8704

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Absolutely local occupied and excited molecular orbitals in the 3rd order single excitation perturbation theory for molecular interaction2010

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J.Phys.Chem.A 114

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Absolutely local occupied and excited molecular orbitals in the 3rd order single excitation perturbation theory for molecular interaction2010

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Phys. Chem. A

      Volume: 114 Pages: 8697-8704

    • DOI

      10.1021/jp101483t

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Journal Article] Absolutely local occupied and excited molecular orbitals in the 3rd order single excitation perturbation theory for molecular interaction2010

    • Author(s)
      Iwata, Suehiro
    • Journal Title

      豊田研究報告

      Volume: 63 Pages: 37-50

    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Absolutely local occupied and excited molecular orbitals in the third order single excitation perturbation theory for molecular interaction2010

    • Author(s)
      S.Iwata
    • Journal Title

      J.Phys.Chem. A114

      Pages: 8697-8704

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Noncovalent isotope effect for guest encapsulation in self-assemble molecular capsule, Chemistry-2009

    • Author(s)
      T.Haino, K.Fukuda, H.Iwamoto, S.Iwata
    • Journal Title

      A European J. 15

      Pages: 13286-13290

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Absolutely local excited orbitals in the higher order perturbation expansion for molecular interaction2008

    • Author(s)
      S.Iwata
    • Journal Title

      J.Phys.Chem. B112

      Pages: 16104-16109

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Absolutely Local Excited Orbitals in the Higher Order Perturbation Expansion for Molecular Interaction2008

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 16104-16109

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Journal Article] Perturbation expansion theory corrected from basis set superposition error II. Charge-transfer, pair correlation and dispersion terms2007

    • Author(s)
      Suehiro Iwata
    • Journal Title

      Theor. Chem. Acc. 117

    • NAID

      120000878133

    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Theoretical studies of group 1 metal complexes with hydrogen fluoride, M (HF)_n, M=Li, Na, and K: A new type of electrides2007

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 7499-7503

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Perturbation expansion theory corrected from basis set superposition error II. Charge-transfer, pair correlation and dispersion terms2007

    • Author(s)
      Suehiro, Iwata, Takeshi, Nagata
    • Journal Title

      Theor. Chem. Acc 117

      Pages: 137-147

    • NAID

      120000878133

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Theoretical studies of group 1 metal complexes with hydrogen fluoride, M(HF)_n, M=Li, Na, and K : A new type of electrides2007

    • Author(s)
      Suehiro, Iwata
    • Journal Title

      J. Phys. Chem 111

      Pages: 7499-7503

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] 「RAE2008に向けて:UKにおける研究評価事業、翻訳『下院科学技術委員会 再審議』『RAE2008申請の手引き』の解題と英国調査報告」2007

    • Author(s)
      岩田末廣
    • Journal Title

      大学評価・学位授与機構紀要「大学評価・学位研究」 5

      Pages: 136-159

    • NAID

      120005566487

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Perturbation expansion theory corrected from basis set superposition error II. Charge-transfer, pair correlation and dispersi on terms.2007

    • Author(s)
      Suehiro Iwata, Takeshi Nagata
    • Journal Title

      Theor. Chem. Acc. 117

      Pages: 137-147

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Locally projected molecular orbital theory for molecular interaction with a high-spin open shell molecule2006

    • Author(s)
      Suehiro, Iwata
    • Journal Title

      J. Theor. Comp. Chem 5

      Pages: 819-833

    • NAID

      120000878110

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Locally projected molecular orbital theory for molecular interaction with a high-spin open shell molecule2006

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J.Theoretical.Computational.Chemistry 5(印刷中)

    • NAID

      120000878110

    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules2006

    • Author(s)
      Valerie, Rodriguez-Garcia, Kiyoshi, Yagi, Kimihiko, Hirao, Suehiro, Iwata, So, Hirata
    • Journal Title

      J. Chem. Phys 125

      Pages: 14109-1

    • NAID

      120000880648

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Locally projected molecular orbital theory for molecular interaction with a high-spin open shell molecule,2006

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Theor. Comp. Chem. 5

      Pages: 819-833

    • NAID

      120000878110

    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] The Single Excitation Perturbation Expansion Theory Based on the Locally Projected Molecular Orbitals for Molecular Interaction: Comparison with the Counterpoise Corrected Energy2006

    • Author(s)
      Suehiro Iwata
    • Journal Title

      Chem. Phys. Letters 432

      Pages: 204-209

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules2006

    • Author(s)
      Valerie Rodriguez-Garcia, Kiyoshi Yagi, Kimihiko Hirao, Suehiro Iwata, So Hirata
    • Journal Title

      J. Chem. Phys 125

    • NAID

      120000880648

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] The Single Excitation Perturbation Expansion Theory Based on the Locally Projected Molecular Orbitals for Molecular Interaction : Comparison with the Counterpoise Corrected Energy2006

    • Author(s)
      Suehiro Iwata
    • Journal Title

      Chem. Phys. Letters 431

    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] The Single Excitation Perturbation Expansion Theory Based on the Locally Projected Molecular Orbitals for Molecular Interaction : Comparison with the Counterpoise Corrected Energy2006

    • Author(s)
      S.Iwata
    • Journal Title

      Chem. Phys. Lett. 431

      Pages: 204-209

    • Data Source
      KAKENHI-PROJECT-18205003
  • [Journal Article] Locally projected molecular orbital theory for molecular interaction with a high-spin open shell molecule2006

    • Author(s)
      Suehiro Iwata
    • Journal Title

      J. Theor. Comp. Chem. 5

      Pages: 819-833

    • NAID

      120000878110

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] The Single Excitation Perturbation Expansion Theory Based on the Locally Projected Molecular Orbitals for Molecular Interaction : Comparison with the Counterpoise Corrected Energy2006

    • Author(s)
      Suehiro, Iwata
    • Journal Title

      Chem. Phys. Letters 432

      Pages: 204-209

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] 「RAE2001からRAE2008へ:『下院委員会報告』『ロバーツ報告』と『RAE2008』の解題」2005

    • Author(s)
      岩田末廣
    • Journal Title

      大学評価・学位授与機構紀要「大学評価・学位研究」 3

      Pages: 131-136

    • NAID

      120005566538

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Journal Article] Theoretical study of photoabsorption cross section of water cluster anions : The size and isomer dependences2005

    • Author(s)
      Suehiro Iwata, Feiwu Chen
    • Journal Title

      J. Electron Spectrosc. Relat. Phenom. 142

      Pages: 277-281

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical study of photoabsorption cross section of water cluster anions : The size and isomer dependences2005

    • Author(s)
      Suehiro Iwata, Feiwu Chen
    • Journal Title

      J.Electron Spectrosc.Relat.Phenom. 142

      Pages: 277-281

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Noble gas clusters doped with a metal ion I. Ab initio studies of Na+Arn2004

    • Author(s)
      Takeshi Nagata, Mutsumu Aoyagi, Suehiro Iwata
    • Journal Title

      J.Physical Chemistry 108

      Pages: 683-690

    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Noble gas clusters doped with a metal ion I. Ab initio studies of Na+Arn2004

    • Author(s)
      Takeshi Nagata, Mutsumu Aoyagi, Suehiro Iwata
    • Journal Title

      J. Physical Chemistry 108

      Pages: 683-690

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Noble gas clusters doped with a metal ion I. Ab initi o studies of Na^+Ar_n2004

    • Author(s)
      Takeshi Nagata, Mutsumu Aoyagi, Suehiro Iwata
    • Journal Title

      J.Physical Chemistry 108

      Pages: 683-690

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Perturbation expansion theory corrected from basis set superposition error I. Locally projected excited orbitals and single excitations.2004

    • Author(s)
      Takeshi Nagata, Suehiro Iwata
    • Journal Title

      J.Chemical Physics 120

      Pages: 3555-3563

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Perturbation expansion theory corrected from basis set superposition error I. Locally projected excited orbitals and single excitations.2004

    • Author(s)
      Takeshi Nagata, Suehiro Iwata
    • Journal Title

      J. Chemical Physics 120

      Pages: 3555-3563

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical molecular Auger spectra with electron population analysis2003

    • Author(s)
      Masaki Mitani, Osamu Takahashi, Ko Saito, Suehiro Iwata
    • Journal Title

      J.Electron Spectrosc.Relat.Phenom. 128

      Pages: 103-117

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical Studies on the Molecular Dependence of Bond Dissociation after Core Excitations II. : CH_3CO(CH_2)_nCN,n=0-32003

    • Author(s)
      Osamu Takahashi, Masaki Mitani, Ko Saito, Suehiro Iwata
    • Journal Title

      J.Computational Chemistry 24

      Pages: 1329-1335

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical Studies on the Molecular Dependence of Bond Dissociation after Core Excitations II. : CH_3CO(CH_2)_nCN, n=0-32003

    • Author(s)
      Osamu Takahashi, Masaki Mitani, Ko Saito, Suehiro Iwata
    • Journal Title

      J. Computational Chemistry 24

      Pages: 1329-1335

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical molecular Auger spectra with electron population analysis2003

    • Author(s)
      Masaki Mitani, Osamu Takahashi, Ko Saito, Suehiro Iwata
    • Journal Title

      J. Electron Spectrosc. Relat. Phenom. 128

      Pages: 103-117

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical study on the weakly-bound complexes in the reactions of hydroxyl radical with saturated hydrocarbons (methane, ethane and propane).2002

    • Author(s)
      Tomohiro Hashimoto, Suehiro Iwata
    • Journal Title

      J. Physical Chemistry A 106

      Pages: 2652-2658

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Electronic spectra and structures of solvated NH_4 radicals, NH_4(NH_3)_n (n=1-8)2002

    • Author(s)
      Shinji Nonose, Tomokazu Taguchi, Fenwu Chen, Suehiro Iwata, Kiyokazu Fuke
    • Journal Title

      J.Physical Chemistry A 106

      Pages: 5242-5248

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Electronic spectra and structures of solvated NH_4 radicals, NH_4(NH_3)_n (n=1-8)2002

    • Author(s)
      Shinji Nonose, Tomokazu Taguchi, Fenwu Chen, Suehiro Iwata, Kiyokazu Fuke
    • Journal Title

      J. Physical Chemistry A 106

      Pages: 5242-5248

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Journal Article] Theoretical study on the weakly-bound complexes in the reactions of hydroxyl radical with saturated hydrocarbons (methane, ethane and propane).2002

    • Author(s)
      Tomohiro Hashimoto, Suehiro Iwata
    • Journal Title

      J.Physical Chemistry A 106

      Pages: 2652-2658

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540479
  • [Presentation] 1. BSSEの原因: OBIとCBI 2. 第2、第3隣接分子と水素結合の強さ2019

    • Author(s)
      岩田末廣
    • Organizer
      IQCE研究会
    • Invited
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 電子相関項に対するcounterpoise法の欠陥の検証:希ガスクラスターの場合2019

    • Author(s)
      狩野祐来、岩田末廣、松澤秀則
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Strictly Local MO for Weak Molecular Interaction2019

    • Author(s)
      Iwata Suehiro
    • Organizer
      Configuration Interaction: Computational Chemistry in Sao Paulo
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Perturbation Theory based on Absolutely Localized MO for Weak Molecular Interaction2019

    • Author(s)
      Iwata Suehiro
    • Organizer
      Workshop on computational molecular science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Theoretical study on NaCl-water clusters: NaCl(H2O)n (n=1-8)2019

    • Author(s)
      Keigo Suzuki, Konato Kuroki, Zenitsubo Narumi, Yoshinobu Gondoh, Tomohiro Hashimoto, Suehiro Iwata
    • Organizer
      日本化学会第99春期年会、岡本キャンパス、甲南大学、神戸
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Cube型Na+(H2O)7とCl-(H2O)7クラスター中の水-水間水素結合に対するイオンの影響2019

    • Author(s)
      古川千紗、石橋千晶、岩田末廣、松澤秀則
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Theoretical study on NaCl-water clusters: NaCl(H2O)n (n=1, 8)2019

    • Author(s)
      Keigo Suzuki, Konato Kuroki, Zenitsubo Narumi, Yoshinobu Gondoh, Tomohiro Hashimoto, Suehiro Iwata
    • Organizer
      第13回分子科学討論会
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Prism型Br-(H2O)5に対するH2O付加の影響に関する理論研究2018

    • Author(s)
      小澤史章,岩田末廣,松澤秀則
    • Organizer
      第12回分子科学討論会、福岡国際会議場、福岡
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Hydrogen Bonds in Water Clusters (H2O)8 and (H2O)12: Importance of the Second and Third Neighbor Hydrogen Bonds2018

    • Author(s)
      Suehiro Iwata
    • Organizer
      Energy Landscape 2018, Hotel Elite City, Kalamata, Greece
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 水素と水のクラスターに関する理論的研究2018

    • Author(s)
      斉藤暖人,中尾一心,権藤好信,橋本智裕,岩田末廣
    • Organizer
      第12回分子科学討論会、福岡国際会議場、福岡
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 水-;水間の水素結合鎖に対するイオンの影響:Na+(H2O)62018

    • Author(s)
      古川千紗、岩田末廣、松澤秀則
    • Organizer
      第12回分子科学討論会、福岡国際会議場、福岡
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 水分子間水素結合に対する第2隣接水素結合の影響解析2018

    • Author(s)
      赤瀬大,相田美砂子、大野公一,岩田末廣
    • Organizer
      第12回分子科学討論会、福岡国際会議場、福岡
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 水素と水のクラスターに関する理論的研究2017

    • Author(s)
      斉藤暖人、雪野真慧、権藤好信、橋本智裕、岩田末廣
    • Organizer
      第11回 分子科学討論会
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] ナトリウムイオンー水クラスター及び塩化物イオンー水クラスター中の水ー水間の水素結合の強さに関するイオンの影響2017

    • Author(s)
      古川千紗、石橋千晶、岩田末廣、松澤秀則
    • Organizer
      第11回 分子科学討論会
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] ハロゲン化物イオン-水クラスター中の水-水間水素結合の強さに対する負イオンの影響2016

    • Author(s)
      石橋千晶、 岩田末廣、 松澤秀則
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Effect of Next-Nearest-Neighbor Hydrogen Bonds on Strength of Hydrogen Bonds2016

    • Author(s)
      Suehiro Iwata
    • Organizer
      Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry
    • Place of Presentation
      Kaohsiung(Taiwan)
    • Year and Date
      2016-01-25
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Presentation] LPMO PT によるFused cube 水12 量体の解析: 電荷移動項と水素結合ネットワークの相関2016

    • Author(s)
      赤瀬大、相田美砂子、岩田末廣
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] 水クラスター(H2O)8と(H2O)12中の水素結合ネットワーク: 隣の隣の水分子からの影響2016

    • Author(s)
      赤瀬大、相田美砂子、大野公一、岩田末廣
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Data Source
      KAKENHI-PROJECT-16K05668
  • [Presentation] Analysis of hydrogen bond energies and hydrogen bonding networks in water clusters using the locally projected molecular orbital perturbation theory2015

    • Author(s)
      Dai Akase, Misako Aida, Koichi Ohno, Suehiro Iwata
    • Organizer
      2015 International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Presentation] 水クラスター(H2O)n(n>=8)内の水素結合エネルギーと水素結合ネットワークの解析:GRRM 法による探索とLPMO PTによる解析2015

    • Author(s)
      赤瀬大、相田美砂子、大野公一、岩田末廣
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学(東京都・目黒区)
    • Year and Date
      2015-09-16
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Presentation] ハロゲン-水クラスター中におけるイオン-水間および水-水間結合の強さを決める因子2015

    • Author(s)
      石橋千晶、 岩田末廣、 尾上薫、 松澤秀則
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学(大阪府・豊中市)
    • Year and Date
      2015-05-20
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Presentation] Non-additivity in Hydrogen Bond Strength: Analysis with Perturbation Theory based on Locally Projected Molecular Orbitals2015

    • Author(s)
      Suehiro Iwata
    • Organizer
      Recent Advances in Electronic Structure Theory (RAEST2015)
    • Place of Presentation
      Nanjing (China)
    • Year and Date
      2015-06-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-24550032
  • [Presentation] Efficient BSSE-free Molcular Orbital Theory with Dispersion Correction2013

    • Author(s)
      Iwata, Suehiro
    • Organizer
      International Workshop on Theoretical and Computational Chemistry
    • Place of Presentation
      Shanghai, China
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Efficient BSSE-free Molecular Orbital Theory with Dispersion Correction2013

    • Author(s)
      Suehiro Iwata
    • Organizer
      International Workshop on Theoretical and Computational Chemistry
    • Place of Presentation
      Shanghai, China
    • Invited
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 水分子クラスター(n≦25)の結合エネルギーと水素結合ネットワークの解析2013

    • Author(s)
      岩田末廣
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] F - (H_2O)_n および Cl - (H_2O)_n ( n=1 - 7 )クラスターの水素結合における電荷移動項と分散項の関係2013

    • Author(s)
      石橋千晶, 岩田末廣, 尾上薫, 松澤秀則
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 水分子クラスター(n≦25)の結合エネルギーと水素結合ネットワークの解析2013

    • Author(s)
      岩田末廣
    • Organizer
      第7回 分子科学学会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 水クラスター(H2O)n (n≦16)の水素結合ネットワーク内の水分子のタイプと分散項・電荷移動項の相関2013

    • Author(s)
      岩田末廣
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 水クラスター (H_2O)_n (n ≦ 16) の水素結合ネットワーク内の水分子のタイプと分散項・電荷移動項の相関2013

    • Author(s)
      岩田末廣
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] BSSE-free procedure with dispersion terms based on locally-projected MO perturbation expansion theory: water clusters and electron-donor-acceptor complexes2013

    • Author(s)
      Iwata, Suehiro
    • Organizer
      7th Molecular Quantum Mechanics
    • Place of Presentation
      Lugano, Switzerland
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] (MBH_4)_nおよび(MAlH_4)_n (M=Li, Na, n=1 - 6)クラスターの構造と電子状態に関する理論研究2013

    • Author(s)
      松澤秀則, 川崎夕美絵, 岩田末廣
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] BSSE-free procedure with the dispersion terms based on local- ly-projected MO perturbation expansion theory; water clusters and elec- tron-donor-acceptor complexes2013

    • Author(s)
      Iwata, Suehiro
    • Organizer
      7th Molec- ular Quantum Mechanics
    • Place of Presentation
      Lugano
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] (MBH4)nおよび(MAlH4)n(M=Li, Na; n=1~6)クラスターの構造と電子状態に関する理論研究2013

    • Author(s)
      松澤秀則、川崎夕美絵、岩田末廣
    • Organizer
      第7回 分子科学学会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Cooperative Roles of Charge-Transfer and Dispersion Terms in Hydrogen Bonds of Water Clusters2013

    • Author(s)
      Iwata, Suehiro
    • Organizer
      5th Japan-Czech-Slovakia International Sym- posium on Theoretical Chemistry
    • Place of Presentation
      Nara
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] F(H2O)n-およびCl(H2O)n-(n=1-7)クラスターの水素結合における電荷移動項と分散項の関係2013

    • Author(s)
      石橋千晶、岩田末廣、尾上薫、松澤秀則
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Cooperative Roles of Charge-Transfer and Dispersion Terms in Hydrogen Bonds of Water Clusters2013

    • Author(s)
      Iwata, Suehiro
    • Organizer
      5th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry
    • Place of Presentation
      Nara
    • Invited
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] The analysis of hydrogen bonding networks in several isomers of (H2O)11 by the charge-tranfer and dispersion energies2012

    • Author(s)
      Suehiro Iwata, Pradipta Bandyopadhyay, Sotiris S. Xantheas
    • Organizer
      第15 回理論化学討論会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Charge-Transfer and Dispersion Energies in Water Clusters2012

    • Author(s)
      Iwata, Suehiro; Bandyopadyay, Pradipta; Xantheas, Sotiris S
    • Organizer
      International Congress of Quantum Chemistry
    • Place of Presentation
      Boulder, USA
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Molecular interaction studied with the perturbation theory based on the locally projected molecula orbitals2012

    • Author(s)
      Iwata, Suehiro
    • Organizer
      Theory and Applications of Computational Chemistry (TACC2012)
    • Place of Presentation
      Pavia, Italy
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] MCQDPT によるパラシクロファンに関する理論的研究2012

    • Author(s)
      白井聡一, 岩田末廣, 前川佳史, 谷孝夫, 稲垣伸二
    • Organizer
      第15 回理論化学討論会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Theoretical study on the geometric and electronic structures of the [Nan(AlH4)m] (n,m=1 - 4)2012

    • Author(s)
      Yumie Kawasaki, Suehiro Iwata, Hidenori Matsuzawa
    • Organizer
      Theory and Applications of Computational Chemistry (TACC2012)
    • Place of Presentation
      Pavia, Italy
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] The analysis of hydrogen bonding networks in several isomers of (H_2O)_11 by the charge-transfer and dispersion energies2012

    • Author(s)
      Iwata, Suehiro; Bandyopadyay, Pradipta; Xantheas, Sotiris S
    • Organizer
      第15回理論化学討論会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Theoretical study on the geometric and electronic structures of the [Nan(AlH4)m] (n, m=1 - 4)2012

    • Author(s)
      Kawasaki, Yumie; Iwata, Suehiro; Matsuzawa. Hidenori
    • Organizer
      Theory and Applications of Computational Chemistry (TACC2012)
    • Place of Presentation
      Pavia, Italy
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 局所射影分子軌道摂動法による弱い電荷移動錯体の研究2012

    • Author(s)
      岩田末廣
    • Organizer
      日本化学会第92春季年会
    • Place of Presentation
      横浜
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 分子錯体形成における電荷移動項と分散項の競合共同効果2012

    • Author(s)
      岩田末廣
    • Organizer
      第6 回分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 局所射影分子軌道摂動法による分散項計算の評価2012

    • Author(s)
      岩田末廣
    • Organizer
      日本化学会第92春期年会
    • Place of Presentation
      横浜
    • Year and Date
      2012-03-25
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] MCQDPT によるパラシクロファンに関する理論的研究2012

    • Author(s)
      白井聡一, 岩田末廣, 前川佳史, 谷孝夫, 稲垣伸 二
    • Organizer
      第15回理論化学討論会
    • Place of Presentation
      仙台
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 分子錯体形成における電荷移動項と分散項の競合共同効果2012

    • Author(s)
      岩田末廣
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] MCQDPTによる芳香族エキシマーに関する理論的研究2011

    • Author(s)
      白井聡一、岩田末廣
    • Organizer
      第14回理論化学討論会
    • Place of Presentation
      岡山
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Low energy structures of (H_2O)_<25> studied with Basin Paving Monte Carlo simulation and with perturbation theory based on locally projected molecular orbital2011

    • Author(s)
      Shanker, S.; Bandyopadhyay, P.; Iwata, S
    • Organizer
      7th Congress of the International Society for Theoretical Chemical Physics (ISTCP VII)
    • Place of Presentation
      Waseda
    • Year and Date
      2011-09-07
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Dispersion Energy Evaluated by Using Locally Projected Occupied and Excited Molecular Orbitals for Molecular Interaction2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists
    • Place of Presentation
      Santiago de Compostela, Spain
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Application of the perturbation theory based on locally projected molecular orbital to water clusters and weak electron-donor complexes : Approximate BSSE-free Hartree-Fock with the dispersion correction2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      5th Asian and Pacific Computational and Theoretical Chemistry Conference (APCTCC5)
    • Place of Presentation
      Ratorua, New Zealand
    • Year and Date
      2011-12-10
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Dispersion Energy Evaluated by Using Locally Projected Occupied and Excited Molecular Orbitals for Molecular Interaction2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC
    • Place of Presentation
      Santiago de Compostela, Spain
    • Year and Date
      2011-07-22
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] The locally projected molecular orbitals for the perturbation expansion theory in studies of molecular clusters2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      Second Recent Advance of Many-Electron Theory (RAMET II)
    • Place of Presentation
      Puri, India
    • Year and Date
      2011-12-01
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] [Lin(BH4)m]s, [Nan(BH4)m]s の幾何構造と電子状態に関する理論研究2011

    • Author(s)
      川崎夕美絵, 岩田末廣, 松澤秀則
    • Organizer
      分子科学会
    • Place of Presentation
      札幌
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 局所射影分子軌道を用いた摂動計算と応用2011

    • Author(s)
      岩田末廣
    • Organizer
      第14回理論化学討論会
    • Place of Presentation
      岡山
    • Year and Date
      2011-05-12
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] [Lin(BH4)m]s, [Nan(BH4)m]s の幾何構造と電子状態に関する理論研究2011

    • Author(s)
      川崎夕美絵, 岩田末廣, 松澤秀則
    • Organizer
      分子科学学会
    • Place of Presentation
      札幌
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 局所射影分子軌道摂動法による分散項計算の評価2011

    • Author(s)
      岩田末廣
    • Organizer
      局所射影分子軌道摂動法による分散項計算の評価
    • Place of Presentation
      横浜
    • Year and Date
      2011-03-29
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Application of the Locally Projected Molecular Orbital Perturbation Theory with Dispersion Correction to the Large Water Clusters2011

    • Author(s)
      Iwata, S; Shanker, S.; Bandyopadhyay, P
    • Organizer
      分子科学学会
    • Place of Presentation
      札幌
    • Year and Date
      2011-09-23
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Application of the perturbation theory based on locally projected molecular orbital to water clusters and weak electron-donor complexes: Approximate BSSE-free Hartree-Fock with the dispersion correction2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      5th Asian and Pacific Computational and Theoretical Chemistry Conference
    • Place of Presentation
      Ratorua, New Zealand
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] MCQDPT による芳香族エキシマーに関する理論的研究2011

    • Author(s)
      白井聡一, 岩田末廣
    • Organizer
      第14回理論化学討論会
    • Place of Presentation
      岡山
    • Year and Date
      2011-05-12
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Low energy structures of (H₂O)₂₅ studied with Basin Paving Monte Carlo simulation and with perturbation theory based on locally projected molecular orbital2011

    • Author(s)
      Sudhanshu Shanker, Pradipta Bandyopadhyay and Suehiro Iwata
    • Organizer
      7th Congress of the International Society for Theoretical Chemical Physics
    • Place of Presentation
      Tokyo
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] The locally projected molecular orbitals for the perturbation expansion theory in studies of molecular clusters2011

    • Author(s)
      Suehiro Iwata
    • Organizer
      Second Recent Advance of Many-Electron Theory(招待講演)
    • Place of Presentation
      Puri, India
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] Application of the Locally Projected Molecular Orbital Perturbation Theory with Dispersion Correction to the Large Water Clusters2011

    • Author(s)
      S. Iwata, S. Shanker, P. Bandyopadhyay
    • Organizer
      分子科学会
    • Place of Presentation
      札幌
    • Data Source
      KAKENHI-PROJECT-23550031
  • [Presentation] 局所射影分子軌道摂動法による分散項計算の評価2011

    • Author(s)
      岩田末廣
    • Organizer
      日本化学会春期年会
    • Place of Presentation
      横浜
    • Year and Date
      2011-03-29
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 局所射影分子軌道法による分散項計算-局所射影分子軌道法を用いた2電子励起摂動計算(2)2010

    • Author(s)
      岩田末廣
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      大阪
    • Year and Date
      2010-09-14
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] LiBH4およびNaBH4クラスターの構造と電子状態に関する理論研究2010

    • Author(s)
      川崎夕美絵、岩田末廣、松澤秀則
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      大阪
    • Year and Date
      2010-09-15
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 局所射影分子軌道法による分散項計算---局所射影分子軌道法を用いた2電子励起摂動計算(2)2010

    • Author(s)
      岩田末廣
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      大阪
    • Year and Date
      2010-09-14
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Theoretical study of geometric and electronic structures of clusters, [Li_n(BH_4)_m]^s and [Na_n(BH_4)_m]^s2010

    • Author(s)
      Kawasaki, Yumie, Iwata, Suehiro, Matsuzawa, Hidenori
    • Organizer
      New Horizons of Cluster Chemistry
    • Place of Presentation
      Kobe
    • Year and Date
      2010-10-09
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] LiBH_4およびNaBH_4クラスターの構造と電子状態に関する理論研究2010

    • Author(s)
      川崎夕美絵、岩田末廣、松澤秀則
    • Organizer
      第4回分子科学討論会
    • Place of Presentation
      大阪
    • Year and Date
      2010-09-15
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 射影分子軌道法を用いた2電子励起摂動計算(1)2010

    • Author(s)
      岩田末廣
    • Organizer
      第13回理論化学討論会
    • Place of Presentation
      北大
    • Year and Date
      2010-05-23
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient Molecular Orbital Theory for Molecular Interaction Without the Basis Set Superposition Error2010

    • Author(s)
      Iwata, Suehiro
    • Organizer
      International Symposium on Molecular and Ionic Clusters
    • Place of Presentation
      Niigata
    • Year and Date
      2010-09-07
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient molecular orbital theory for molecular interaction with dispersion force with locally projected molecular orbital2010

    • Author(s)
      岩田末廣
    • Organizer
      The 50^<th> Sanibel Symposium
    • Place of Presentation
      St.Simons Island, Georgia, USA
    • Year and Date
      2010-02-25
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient Molecular Orbital Theory for Molecular Interaction Without the Basis Set Superposition Error2010

    • Author(s)
      岩田末廣
    • Place of Presentation
      Niigata
    • Year and Date
      2010-09-07
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient molecular orbital theory for molecular interaction with dispersion force with locally projected molecular orbital2010

    • Author(s)
      岩田末廣
    • Organizer
      The 50^<th> Sanibel Symposium
    • Place of Presentation
      Georgia USA
    • Year and Date
      2010-02-25
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Higher order perturbation theory with locally projected molecular orbitals for molecular interaction2009

    • Author(s)
      岩田末廣
    • Organizer
      XIII International Congress of Quantum Chemistry
    • Place of Presentation
      Helsinki
    • Year and Date
      2009-06-24
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient molecular orbital theory for molecular interaction with less basis set superposition error2009

    • Author(s)
      岩田末廣
    • Organizer
      The fourth Asian Pacific Conference of Theoretical & Computational Chemistry
    • Place of Presentation
      Malaysia
    • Year and Date
      2009-12-21
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Deuteration effects on the enthalpy and entropy changes in encapsulation ofmethyl-containing guest molecules in molecular cages : Importance of the increase of internal rotation barrier2009

    • Author(s)
      岩田末廣, 灰野岳晴
    • Organizer
      Molecular properties : Bridging the gap between theory and experiment
    • Place of Presentation
      Oslo
    • Year and Date
      2009-06-20
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Molecular orbital theory for molecular interaction based on locally projected molecular orbital2009

    • Author(s)
      岩田末廣
    • Organizer
      The 6^<th> Nano Bio Info Chemistry Symposium
    • Place of Presentation
      広島大学
    • Year and Date
      2009-12-13
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient molecular orbital theory for molecular interaction with less basis set superposition error2009

    • Author(s)
      岩田末廣
    • Organizer
      The fourth Asian Pacific Conference of Theoretical & Computational Chemistry
    • Place of Presentation
      Port Dickson, Malaysia
    • Year and Date
      2009-12-21
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Perturbation Expansion Based on Absolutely Local Excited Molecular Orbitals and Application to Molecular Clusters2009

    • Author(s)
      岩田末廣
    • Organizer
      International Symposium on theory of molecular structure, function and Reactivity
    • Place of Presentation
      Kyoto
    • Year and Date
      2009-07-19
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 局所射影分子軌道を用いた高次摂動計算とその解析2009

    • Author(s)
      岩田末廣
    • Organizer
      理論化学討論会
    • Place of Presentation
      東京・東京大学
    • Year and Date
      2009-05-28
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Perturbation Expansion Based on Absolutely Local Excited Molecular Orbitals and Application to Molecular Clusters2009

    • Author(s)
      岩田末廣
    • Organizer
      The 3rd Japan-Czech-Slovak Joint Symposium for Theoretcal/Computational Chemistry(招待)
    • Place of Presentation
      Bratislava
    • Year and Date
      2009-09-10
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Perturbation Expansion Based on Absolutely Local Excited Molecular Orbitals and Application to Molecular Clusters2009

    • Author(s)
      岩田末廣
    • Organizer
      The third Japan-Czech-Slovak Joint Symposium for Theoretical/Computational Chemistry
    • Place of Presentation
      Bratislava, Slovakia
    • Year and Date
      2009-09-10
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Deuteration effects on the enthalpy and entropy changes in encapsulation of methyl-containing guest molecules in molecular cages : Importance of the increase of internal rotation barrier2009

    • Author(s)
      S.Iwata, T.Haino
    • Organizer
      Molecular properties : Bridging the gap between theory and experiment
    • Place of Presentation
      Oslo
    • Year and Date
      2009-06-20
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Deuteration effects on the enthalpy and entropy changes in encapsulation ofmethyl-containing guest molecules in molecular cages : Importance of the increase of internal rotation barrier2009

    • Author(s)
      岩田末廣, 灰野岳晴
    • Organizer
      反応討論会
    • Place of Presentation
      大宮
    • Year and Date
      2009-06-01
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Perturbation Expansion Based on Absolutely Local Excited Molecular Orbitals and Application to Molecular Clusters2009

    • Author(s)
      岩田末廣
    • Organizer
      International Symposium on theory of molecular structure, function and Reactivity(招待)
    • Place of Presentation
      京都大学
    • Year and Date
      2009-07-19
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Perturbation Expansion Based on Absolutely Local Excited Molecular Orbitals2008

    • Author(s)
      Suehiro Iwata
    • Organizer
      WATOC 2008
    • Place of Presentation
      Sydney
    • Year and Date
      2008-09-16
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Single-Excitation Higher Order Perturbation in Locally Projected Molecular Orbitals2008

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Spring Annual Meeting of Chemical Society of Japan
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-03-26
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds: How the excess electron is stabilized by the surrounding multi-dipoles2008

    • Author(s)
      Suehiro Iwata
    • Organizer
      Sendai International Symposium on Molecular Cluster Spectroscopy, Sendai, May 30 (2006)
    • Place of Presentation
      仙台
    • Year and Date
      2008-05-30
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation expansion based on absolutely local excited molecular orbitals2008

    • Author(s)
      岩田末廣
    • Organizer
      WATOC2008
    • Place of Presentation
      Sydney
    • Year and Date
      2008-09-16
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 局所射影励起軌道に基づく摂動計算と電荷移動項2008

    • Author(s)
      岩田末廣
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] 1) Role of Electron-Hydrogen Bond in the Excess Electron System, 2) Efficient and Accurate Computation Procedure for Weak Molecular Interaction2008

    • Author(s)
      Suehiro, Iwata
    • Organizer
      5th QuLiS Symposium
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2008-03-13
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所射影分子軌道に基づく1電子励起高次摂動補正項2008

    • Author(s)
      岩田末廣
    • Organizer
      日本化学会第88回春季年会
    • Place of Presentation
      東京
    • Year and Date
      2008-03-26
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Guest-Host 相互作用の重水素効果2008

    • Author(s)
      岩田末廣, 福田克哲, 灰野岳晴
    • Organizer
      第11回理論化学討論会
    • Place of Presentation
      慶応大
    • Year and Date
      2008-05-22
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Deuteration Effects on the Gibbs Free Energy Changes in Guest Encapsulation Reactions2008

    • Author(s)
      Suehiro Iwata, Katsunori Fukuda, Takeharu Haino
    • Organizer
      Fifth Nano-Bio-Info Symposium
    • Place of Presentation
      広島大
    • Year and Date
      2008-12-14
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] いのちを司る分子たちの相互作用2008

    • Author(s)
      岩田末廣
    • Organizer
      名古屋大学工学部応用化学研究科 セミナー
    • Place of Presentation
      名古屋大学
    • Year and Date
      2008-07-17
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] Efficient ab initio computational procedures for molecular interaction based on the locally projected molecular orbitals2008

    • Author(s)
      Suehiro Iwata
    • Organizer
      Theoretical Seminar at Pacific Northeast National Laboratory
    • Place of Presentation
      Pacific Northeast National Laboratory
    • Year and Date
      2008-06-11
    • Data Source
      KAKENHI-PROJECT-20550018
  • [Presentation] (1)余剰電子系における電子-水素結合の役割 (2)分子間相互作用の高精度高効率計算法2008

    • Author(s)
      岩田末廣
    • Organizer
      第5回QuLiSシンポジウム
    • Place of Presentation
      東広島
    • Year and Date
      2008-03-13
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation Expansion Based on Locally-Projected Molecular Orbitals: Closed and Open Shell Case2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      3rd Asian Pacific Conference on Theoretical & Computational Chemistry,
    • Place of Presentation
      北京
    • Year and Date
      2007-09-23
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds: Some recent progress2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Seminar at Department of Chemistry, Liaoning Normal University (遼寧師範大学)
    • Place of Presentation
      大連
    • Year and Date
      2007-09-20
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Higher Order Perturbation Correction for Locally Projected Molecular Orbital Method2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      4th NaBiT Symposium
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2007-12-02
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 高速かつ基底関数欠損誤差の小さい分子間相互作用計算法:閉殻系と開殻系2007

    • Author(s)
      岩田末廣
    • Organizer
      第1回分子科学学会
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-18
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction: Restricted Closed and Open Shell Cases2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      2nd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      Bangkok
    • Year and Date
      2007-05-04
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Molecular Cluster of a group I metal atom and Hydrogen Fluoride M^+(HF)_n{e^-} ; A New Electride?2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Spring Annual Meeting of Chemical Society of Japan
    • Place of Presentation
      Osaka
    • Year and Date
      2007-03-27
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Performance of 2nd Order Perturbation Expansion based on Locally-projected Molecular Orbitals,2007

    • Author(s)
      Dong-Xia Zhao, Suehiro Iwata and Misako Aida
    • Organizer
      Sanibel Symposium
    • Place of Presentation
      Georgia
    • Year and Date
      2007-02-27
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Performance of 2nd Order Perturbation Expansion based on Locally-projected Molecular Orbitals2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Sanibel Symposium
    • Place of Presentation
      Georgia, USA
    • Year and Date
      2007-02-27
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所射影開殻制限Hartree-Fock法の導出と応用2007

    • Author(s)
      岩田末廣
    • Organizer
      理論化学討論会
    • Place of Presentation
      京都
    • Year and Date
      2007-05-18
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Why Is Molecular Interaction Important in Our Life, Suehiro Iwata2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Department of Chemistry, Liaoning Normal University
    • Place of Presentation
      大連
    • Year and Date
      2007-09-29
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 地球を含む太陽系の大気環境に量子化学で迫る2007

    • Author(s)
      岩田末廣
    • Organizer
      豊田中央研究所
    • Place of Presentation
      長久手
    • Year and Date
      2007-11-02
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所射影分子軌道法による 分子間相互作用エネルギーに対する高次摂動補正2007

    • Author(s)
      岩田末廣
    • Organizer
      第4回ナノ・バイオ・インフォ シンポジウム
    • Place of Presentation
      東広島
    • Year and Date
      2007-12-02
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally Projected Molecular Orbital Theory for Molecular Interaction: Development of "BSSE free" Procedure2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Institute of Theoretical Chemistry, Jilin Univy
    • Place of Presentation
      長春
    • Year and Date
      2007-09-27
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] The QM/MM Monte Carlo (MC) studies on the hydration of uracil, thymine and 6-methyluracil2007

    • Author(s)
      Dong-Xia, Zhao, Suehiro, Iwata, Misako, Aida
    • Organizer
      3rd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      Beijing
    • Year and Date
      2007-09-23
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Enjoy Chemistry with Computer2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Seminar at Department of Chemistry, School of Applied Sciences (応用科学学院化学部), University of Science and Technology Beijing(北京科学技術大学)
    • Place of Presentation
      北京
    • Year and Date
      2007-09-15
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction: Restricted Closed and Open Shell SCF, and MP22007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Seminar at Quantum Theory Project in University of Florida
    • Place of Presentation
      Gainsville, Florida
    • Year and Date
      2007-07-05
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction: Restricted Closed and Open Shell SCF, and MP22007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Seminar at Department of Chemistry, Beijing University (北京大学)
    • Place of Presentation
      北京
    • Year and Date
      2007-09-14
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Efficient Calculation Procedure with Small BSSE : Closed and Open Shell2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Symposium of Molecular Science
    • Place of Presentation
      Sendai
    • Year and Date
      2007-09-18
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation Expansion Based on Locally-Projected Molecular Orbitals : Closed and Open Shell Cases2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      3rd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      Beijing
    • Year and Date
      2007-09-23
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 1族金属とHFのクラスター、M^+(HF)_n{e-}:新しいエレクトライド?2007

    • Author(s)
      岩田末廣
    • Organizer
      日本化学会春季年会
    • Place of Presentation
      大阪
    • Year and Date
      2007-03-27
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Quantum Chemistry for Atmospheric Chemical Processes : Enjoy Chemistry with Computer 52007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      A Seminar at Toyota Central Research R & D Labs
    • Place of Presentation
      Nagakute
    • Year and Date
      2007-11-02
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally Projected Molecular Orbital Theory for Molecular Interaction : Development of "BSSE free2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      A Seminar at Institute of Theoretical Chemistry, Jilin Univ
    • Place of Presentation
      Changchun
    • Year and Date
      2007-09-27
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Enjoy Chemistry with Computers2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      University of Kentucky
    • Place of Presentation
      Kentucky
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation Expansion Based on Locally-Projected Molecular Orbitals: Closed and Open Shell Cases2007

    • Author(s)
      岩田末廣
    • Organizer
      3rd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      北京
    • Year and Date
      2007-09-23
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation Expansion based on Locally-Projected Molecular Orbitals for Molecular Interaction2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Molecular Quantum Mechanics : Analytical Gradients and Beyond
    • Place of Presentation
      Budapest
    • Year and Date
      2007-05-30
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] The QM/MM Monte Carlo (MC) studies on the hydration of uracil, thymine and 6-methyluracil2007

    • Author(s)
      Dong-Xia Zhao, Suehiro Iwata and Misako Aida
    • Organizer
      3rd Asian Pacific Conference on Theoretical & Computational Chemistry,
    • Place of Presentation
      北京
    • Year and Date
      2007-09-23
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所射影分子軌道に基づく1電子励起高次摂動補正項2007

    • Author(s)
      岩田末廣
    • Organizer
      第88回日本化学会春季年会
    • Place of Presentation
      東京
    • Year and Date
      2007-03-26
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Molecular Design of New Electrides: M^+(HF)_n{e}2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Sanibel Symposium
    • Place of Presentation
      Georgia
    • Year and Date
      2007-02-27
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Why Is Molecular Interaction Important in Our Life2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      A Seminar at Department of Chemistry, Liaoning Normal University
    • Place of Presentation
      Dailian
    • Year and Date
      2007-09-27
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 1) Quantum Chemical Molecular Design of Molecular Electride, 2) Efficient and Accurate Computation Procedure for Weak Molecular Interaction2007

    • Author(s)
      Suehiro, Iwata
    • Organizer
      INSAM
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2007-11-13
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio MO and QM/MM studies on hydration of nucleic acid bases2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Sanibel Symposium
    • Place of Presentation
      Georgia
    • Year and Date
      2007-02-27
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 1)分子エレクトライドの量子化学設計、2)弱い分子間相互作用の高精度高効率計算法開発2007

    • Author(s)
      岩田末廣
    • Organizer
      INSAM
    • Place of Presentation
      東広島
    • Year and Date
      2007-11-13
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 高速かつ基底関数欠損誤差の小さい分子間相互作用計算法:閉殻系と開殻系2007

    • Author(s)
      岩田末廣
    • Organizer
      分子科学会
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-18
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio MO and QM/MM studies on hydration of nucleic acid bases2007

    • Author(s)
      Dong-Xia, Zhao, Suehiro, Iwata, Misako, Aida
    • Organizer
      Sanibel Symposium
    • Place of Presentation
      Georgia, USA
    • Year and Date
      2007-02-27
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation Expansion based on Locally-Projected Molecular Orbitals for Molecular Interaction2007

    • Author(s)
      Suehiro Iwata
    • Organizer
      Molecular Quantum Mechanics: Analytical Gradients and Beyond
    • Place of Presentation
      Budapest
    • Year and Date
      2007-05-30
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds: How the excess electron is stabilized by the surrounding multi-dipoles2006

    • Author(s)
      Suehiro Iwata
    • Organizer
      a seminar for the theoretical and computational group in Chemistry Department of Bristol University
    • Place of Presentation
      Bristol
    • Year and Date
      2006-03-23
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds : How the excess electron is stabilized by the surrounding multi-dipoles2006

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar for the theoretical and computational group in Chemistry Department of Bristol University
    • Place of Presentation
      Bristol, UK
    • Year and Date
      2006-03-23
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio MO and QM/MM studies on the hydration of pyrimidine bases (Uracil, Cytosine and Thymine)2006

    • Author(s)
      Dong-Xia Zhao, Suehiro Iwata and Misako Aida
    • Organizer
      NaBiTシンポジウム,
    • Place of Presentation
      東広島
    • Year and Date
      2006-12-16
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] An ab initio MO and Monte Carlo study on the hydration of uracil2006

    • Author(s)
      Dong-Xia Zhao, Suehiro Iwata and Misako Aida,
    • Organizer
      XII ICQC,
    • Place of Presentation
      京都
    • Year and Date
      2006-05-22
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] An ab initio MO and Monte Carlo study on the hydration of uracil2006

    • Author(s)
      Dong-Xia, Zhao, Suehiro, Iwata, Misako, Aida
    • Organizer
      XII ICQC
    • Place of Presentation
      Kyoto
    • Year and Date
      2006-05-22
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds : How the excess electron is stabilized by the surrounding multi-dipoles2006

    • Author(s)
      Suehiro, Iwata
    • Organizer
      XII ICQC
    • Place of Presentation
      Kyoto
    • Year and Date
      2006-05-22
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio MO and QM/MM studies on the hydration of pyrimidine bases (Uracil, Cytosine and Thymine)2006

    • Author(s)
      Dong-Xia, Zhao, Suehiro, Iwata, Misako, Aida
    • Organizer
      NaBiT Symposium
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2006-12-16
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Molecular Design of a New Electride : M^+(HF)_n{e^-}2006

    • Author(s)
      Suehiro, Iwata
    • Organizer
      3rd NaBiT Symposium
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2006-12-17
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds: How the excess electron is stabilized by the surrounding multi-dipole2006

    • Author(s)
      Suehiro Iwata
    • Organizer
      a joint seminar for the theoretical group in Chemistry Department and laser-specrtroscopy group in Photon Research Institute, University of Manchester
    • Place of Presentation
      Manchester
    • Year and Date
      2006-03-24
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 新しいエレクトライドの分子設計: M^+(HF)_n{e}2006

    • Author(s)
      岩田末廣
    • Organizer
      NaBiTシンポジウム,
    • Place of Presentation
      東広島
    • Year and Date
      2006-12-17
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio QM/MM-Monte Carlo studies on hydration of uracil2006

    • Author(s)
      Dong-Xia Zhao, Suehiro Iwata and Misako Aida
    • Organizer
      分子構造討論会
    • Place of Presentation
      静岡
    • Year and Date
      2006-09-21
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所展開分子軌道法による2次摂動展開の性能2006

    • Author(s)
      岩田末廣
    • Organizer
      分子構造討論会
    • Place of Presentation
      静岡
    • Year and Date
      2006-09-20
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds : How the excess electron is stabilized by the surrounding multi-dipoles2006

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Joint seminar for the theoretical group in Chemistry Department and laser-specrtroscopy group in Photon Research Institute, University of Manchester
    • Place of Presentation
      Manchester, UK
    • Year and Date
      2006-03-24
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 2nd Order Perturbation Expansion using the Locally Projected Molecular Orbitals2006

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Symposium of Molecular Structure and Spectroscopy
    • Place of Presentation
      Shizuoka
    • Year and Date
      2006-09-20
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds: How the excess electron is stabilized by the surrounding multi-dipoles,2006

    • Author(s)
      Suehiro Iwata
    • Organizer
      XII ICQC,
    • Place of Presentation
      京都
    • Year and Date
      2006-05-22
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Ab initio QM/MM-Monte Carlo studies on hydration of uracil2006

    • Author(s)
      Dong-Xia, Zhao, Suehiro, Iwata, Misako, Aida
    • Organizer
      Symposium of Molecular Structure and Spectroscopy
    • Place of Presentation
      Shizuoka
    • Year and Date
      2006-09-20
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bond : Mechanism of Stabilizing an Excess Electron2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar at Department of Chemistry, Hokkaido University
    • Place of Presentation
      Sapporo
    • Year and Date
      2005-11-24
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Enjoy Chemistry with Computers2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar at Department of Pharmaceutical Study in University of Kentucky
    • Place of Presentation
      Kentuckey
    • Year and Date
      2005-07-13
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction : Restricted Closed and Open Shell Cases2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      2nd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      Bangkok
    • Year and Date
      2005-05-04
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation expansion based on locally-projected restricted open and closed shell molecular orbital2005

    • Author(s)
      Suehiro Iwata
    • Organizer
      PacifiChem 2005
    • Place of Presentation
      Hawaii
    • Year and Date
      2005-12-19
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction : Restricted Closed and Open Shell SCF, and MP22005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar at Department of Chemistry, Beijin University
    • Place of Presentation
      Beijing
    • Year and Date
      2005-09-14
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Enjoy Chemistry with Computer2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar at University of Science and Technology Beijing
    • Place of Presentation
      Beijing
    • Year and Date
      2005-09-15
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] The binding energy of the electron-hydrogen bonds: Estimation by the perturbation expansion based on the locally projected open shell molecular orbital theory2005

    • Author(s)
      Suehiro Iwata
    • Organizer
      PacifiChem 2005
    • Place of Presentation
      Hawaii
    • Year and Date
      2005-12-19
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 局所展開分子軌道理論 とその応用2005

    • Author(s)
      岩田末廣
    • Organizer
      NaBiTシンポジウム
    • Place of Presentation
      東広島
    • Year and Date
      2005-11-26
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] The binding energy of the electron-hydrogen bonds : Estimation by the perturbation expansion based on the locally projected open shell molecular orbital theory2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      PacifiChem 2005
    • Place of Presentation
      Hawaii
    • Year and Date
      2005-12-19
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Derivation of Restricted Open-shell Locally Projected Molecular orbitals for Molecular Interaction2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Symposium on Theoretical Chemistry
    • Place of Presentation
      Kyoto
    • Year and Date
      2005-05-18
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 単一フォック演算子法による 局所射影分子軌道法:理論と応用2005

    • Author(s)
      岩田末廣
    • Organizer
      分子構造総合討論会
    • Place of Presentation
      東京
    • Year and Date
      2005-09-28
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 電子-水素結合:余剰電子の安定花機構2005

    • Author(s)
      岩田末廣
    • Organizer
      物理化学セミナー、化学専攻、北海道大学
    • Place of Presentation
      札幌
    • Year and Date
      2005-11-24
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Electron-Hydrogen Bonds : Some recent progress2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Liaoning Normal University
    • Place of Presentation
      Dilian
    • Year and Date
      2005-09-20
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Perturbation expansion based on locally-projected restricted open and closed shell molecular orbitals2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      PacifiChem 2005
    • Place of Presentation
      Hawaii
    • Year and Date
      2005-12-19
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Single Fock Method for Locally Projected Molecular Orbitals2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Symposium of Molecular Structure and Spectroscopy
    • Place of Presentation
      Tokyo
    • Year and Date
      2005-09-28
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally Projected Molecular Orbitals and Application2005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      2nd NaBiT Symposium
    • Place of Presentation
      Higashi-Hiroshima
    • Year and Date
      2005-11-26
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] 欧米の大学における研究評価 英国のRAE2001からRAE2008への動きを中心に2005

    • Author(s)
      岩田末廣
    • Organizer
      材料工学教育研究集会
    • Place of Presentation
      東広島
    • Year and Date
      2005-10-01
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • [Presentation] Locally-Projected Molecular Orbitals for Molecular Interaction : Restricted Closed and Open Shell SCF, and MP22005

    • Author(s)
      Suehiro, Iwata
    • Organizer
      Seminar at Quantum Theory Project in University of Florida
    • Place of Presentation
      Gainsville, Florida
    • Year and Date
      2005-07-05
    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-17550012
  • 1.  NAKAMURA Hiroki (10010935)
    # of Collaborated Projects: 7 results
    # of Collaborated Products: 0 results
  • 2.  OSAMURA Yoshihiro (50160841)
    # of Collaborated Projects: 5 results
    # of Collaborated Products: 0 results
  • 3.  KATO Shigeki (20113425)
    # of Collaborated Projects: 5 results
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  • 4.  OHMINE Iwao (60146719)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 0 results
  • 5.  MOROKUMA Keiji (40111083)
    # of Collaborated Projects: 4 results
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  • 6.  IKEGAMI Tsutomu (80245612)
    # of Collaborated Projects: 4 results
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  • 7.  HIRAO Kimihiko (70093169)
    # of Collaborated Projects: 4 results
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  • 8.  YAMASHITA Koichi (40175659)
    # of Collaborated Projects: 3 results
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  • 9.  TANAKA Kiyoshi (00000860)
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  • 11.  NAKATSUJI Hiroshi (90026211)
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  • 12.  YABUSHITA Satoshi (50210315)
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  • 13.  YOSHIHARA Keitaro (40087507)
    # of Collaborated Projects: 2 results
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  • 14.  NISHIMOTO Kichisuke (20046949)
    # of Collaborated Projects: 2 results
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  • 15.  KAJIMOTO Okitsugu (30029483)
    # of Collaborated Projects: 2 results
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  • 16.  TSUKADA Masaru (90011650)
    # of Collaborated Projects: 2 results
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  • 17.  SUZUKI Toshinori (10192618)
    # of Collaborated Projects: 2 results
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  • 18.  ITO Mitsuo (20013469)
    # of Collaborated Projects: 2 results
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  • 19.  橋本 健朗 (40202254)
    # of Collaborated Projects: 2 results
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  • 20.  平野 恒夫 (40011027)
    # of Collaborated Projects: 2 results
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  • 21.  HOUSTON Paul
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 22.  EBATA Takayuki (70142924)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 23.  INOKUCHI Yoshiya (30311187)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 24.  MATSUZAWA Hidenori (30260847)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 9 results
  • 25.  SAKAKI Shigeyoshi (20094013)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 26.  YAKUSHI Kyuya (20011695)
    # of Collaborated Projects: 1 results
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  • 27.  URISU Tsuneo (50249950)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 28.  SAITO Shuji (30106158)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 29.  HANAZAKI Ichiro (00028250)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 30.  KOHGUCHI Hiroshi (40311188)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 31.  NANBU Shinko (00249955)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 32.  TAKAMI Toshiya (10270472)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 33.  AOYAGI Mutsumi (00260026)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 34.  TEN-NO Seiichiro (00270471)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 35.  TAKATSUKA Kazuo (70154797)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 36.  NAGASE Shigeru (30134901)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 37.  KANDORI Hideki (70202033)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 38.  TOMINAGA Keisuke (30202203)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 39.  TERAJIMA Masahide (00188674)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 40.  TANAKA Hideki (80197459)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 41.  KAYA Koji (10004425)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 42.  SAITO Ko (00033853)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 43.  FUJIMURA Yuichi (90004473)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 44.  I'HAYA Yasumasa J. (30017280)
    # of Collaborated Projects: 1 results
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  • 45.  ANNO Toshinobu (50038395)
    # of Collaborated Projects: 1 results
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  • 46.  YAMABE Tokio (80025965)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 47.  AONA Shigeyuki (70019438)
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  • 48.  中川 直哉 (60017324)
    # of Collaborated Projects: 1 results
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  • 49.  廣田 穣 (00017881)
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  • 50.  大澤 映二 (40001763)
    # of Collaborated Projects: 1 results
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  • 51.  笛野 高之 (60029387)
    # of Collaborated Projects: 1 results
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  • 52.  生田 茂 (60112471)
    # of Collaborated Projects: 1 results
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  • 53.  長嶋 雲兵 (90164417)
    # of Collaborated Projects: 1 results
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  • 54.  川崎 昌博 (70110723)
    # of Collaborated Projects: 1 results
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  • 55.  幸田 清一郎 (10011107)
    # of Collaborated Projects: 1 results
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  • 56.  石渡 孝 (40134811)
    # of Collaborated Projects: 1 results
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  • 57.  松見 豊 (30209605)
    # of Collaborated Projects: 1 results
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  • 58.  丸山 有成 (40013479)
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  • 59.  住 斉 (10134206)
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  • 60.  岩田 末廣 (02008705)
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  • 61.  UNDERHILL A.E.
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  • 62.  MUNRO I.H.
    # of Collaborated Projects: 1 results
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  • 63.  PHILLIPS D.
    # of Collaborated Projects: 1 results
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  • 64.  SARRE P.J.
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  • 65.  ROBB M.A.
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  • 66.  DAY P.
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  • 67.  TOUMI Ralf
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  • 68.  PAVLOV Lubomir
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 69.  村上 明徳
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 70.  UNDERHILL A.
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 71.  LEVINE R.D.
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 72.  LEVINE Raphael D.
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 73.  RAPHAEL Levi
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 74.  VASYUTINSKII Oleg
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 75.  PAVLOV Lubom
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 76.  VASYUTINSKII
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 77.  天辰 禎晃
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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