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NORO Takeshi  野呂 武司

ORCIDConnect your ORCID iD *help
… Alternative Names

野呂 武司  ノロ タケシ

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Researcher Number 50125340
Other IDs
External Links
Affiliation (based on the past Project Information) *help 2007 – 2012: Hokkaido University, Faculty of science, Associate Professor
2006: 北海道大学, 大学院理学研究院, 助教授
2002 – 2005: 北海道大学, 大学院・理学研究科, 助教授
1999: 北海道大学, 大学院・理学研究科, 助教授
1995: 北海道大学, 大学院・理学研究科, 助教授 … More
1994: 北海道大学, 理学部, 助教授
1990 – 1993: 北海道大学, 理学部, 講師
1989: 北海道大学, 理学部, 助手
1986 – 1987: 北海道大学, 理学部, 助手 Less
Review Section/Research Field
Principal Investigator
Physical chemistry / Physical chemistry
Except Principal Investigator
Science and Engineering / Physical chemistry / 構造化学
Keywords
Principal Investigator
電子相関 / 自然軌道 / 局在化軌道 / 基底関数 / 相対論 / 化学反応系 / 計算の効率化 / webアプリケーション / basis set / electron correlation … More / 部分系 / ポテンシャル曲面 / 配置間相互作用法 / 励起の局在化 / 計算の省力化 / セグメント型 / ランタニド / モデルポテンシャル / 重元素 / ランタニド元 / 縮約型基底 / 全電子計算 / モデルポテンシャル計算 / 典型元素 / relativistic theory / model core potential / natural orbital / heavy elements / Ru錯体 / 電子移動と配位子 / 配位様式変換 / 光誘起 / 長寿命準安定状態 / ポテンシャル面 / 多段酸化還元 / 励起状態 / [Ru(CN)_5NO]^<2-> / 光誘起長寿命準安定状態 / スイッチング素子 / 無輻射遷移 / Ru_3O(CH_3CO_2)_6L_2CO / oxo中心の酢酸架橋Ru三核 / 同エネルギー異性体 / 3核錯体 / 混合原子価 / 還元体安定構造 / 記憶素子 / Ru complex / Charge transfer and ligands / conformation conversion of ligands / photo-induced / long lived metastable state / potential surface / redox process / exicited state / セグメント型基底関数 / 内殻電子 / 基底関数データベース / relativity / segementde contraction / inner core electron / web application / detabase … More
Except Principal Investigator
励起状態 / MRSDCI / 反応ダイナミックス / 非断熱遷移 / 溶媒効果 / 励起寿命 / 解離性再結合反応 / 希ガスマトリックス / 希ガス化合物 / 高温超伝導物質 / 酸化銅 / クラスター / 酢酸銅 / 遷移金属原子 / 遷移金属イオン / スピン交換相互作用 / イオン化エネルギー / 遷移金属錯イオン / 水酸化銅 / 水酸化クロ-ム / dーd遷移 / 電荷移動 / 生体内遷移金属錯体 / 鉄一イオウクラスタ- / スピンフラストレ-ション / 反強磁性相互作用 / 多参照結合電子対近似 / MRCPA / size consistency / 遷移金属錯体 / 配位性金属-金属結合 / モデル内殻ポテンシャル / タンデム型3核錯体 / 高精度断熱ポテンシャル面 / 負イオン生成 / 動力学 / 第一原理分子動力学法 / 光化学反応 / アゾベンゼン / 無輻射過程 / 異性化反応経路 / RATTLE法 / 光化学 / クマリン151 / 励起プロトン移動 / QM / MM分子動力学 / Effective Fragment Potential / AIMD計算 / 7-azaindole / DNA塩基対モデル / スチルベン光異性化反応 / 分子シミュレーション / ab initio分子軌道法 / 白金カルボニル / 振動スペクトル / 倍音 / グラフェン / ab initio計算 / 凝縮系 / 分子動力学計算 / 調和振動数 / 基本振動数 / トンネル効果 / AIMD / 同位体効果 / WKB近似 / 多次元トンネル効果 / QM/MM / 円錐交差 / 水素分子生成 / AIMD法 / シトシン / DNA塩基の光安定性 / 光異性化 / 状態平均MCSCF法 / マトリックス効果 / 振動分光 / 非調和効果 / 量子古典混合 / Abinitio / モンテカルロ / ab initio / Cuクラスター / 吸着 / CO / CuCH_2 / 多電子励起効果 / ベンゼン / ボラジン / フルオロベンゼン / 基底関数 / 電子相関 / π→π^*遷移 / π→σ^*遷移 / Perfluor効果 / ハロベンゼン / 配置間相互作用法 / Benzene / Bolazine / GNO / Electron correlation / <pi>-><pi>^* transition / Perfluor effect Less
  • Research Projects

    (20 results)
  • Research Products

    (58 results)
  • Co-Researchers

    (13 People)
  •  Ab initio simulation of matrix-isolation vibrational spectroscopy

    • Principal Investigator
      TAKETSUGU Tetsuya
    • Project Period (FY)
      2011 – 2012
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Theoretical development of ab initio reaction dynamics approach and generalized program code

    • Principal Investigator
      TAKETSUGU Tetsuya
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Construction of relativistic segmented-type basis setsPrincipal Investigator

    • Principal Investigator
      NORO Takeshi
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  希ガスマトリックス効果を考慮した凝縮系振動スペクトルシミュレーションの理論開発

    • Principal Investigator
      武次 徹也
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Ab initio Excited-State Reaction Dynamics and Its Applications to Photochemistry

    • Principal Investigator
      TAKETSUGU Tetsuya
    • Project Period (FY)
      2006 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Hokkaido University
  •  Basis sets for post-HF calculations and WEB applicationPrincipal Investigator

    • Principal Investigator
      NORO Takeshi
    • Project Period (FY)
      2006 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  A theoretical study on charge transfer and other properties induced by conformation conversion of ligands in Ru complexesPrincipal Investigator

    • Principal Investigator
      NORO Takeshi, 田中 皓
    • Project Period (FY)
      2004 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  Relativistic Correlating Basis Sets for Heavy ElementsPrincipal Investigator

    • Principal Investigator
      NORO Takeshi
    • Project Period (FY)
      2002 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Hokkaido University
  •  配位性金属-金属結合をもつ錯体の電子状態に対する理論的研究

    • Principal Investigator
      三好 永作
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Okazaki National Research Institutes
  •  高精度断熱ポテンシャル面の理論計算と反応素過程の研究

    • Principal Investigator
      田中 皓
    • Project Period (FY)
      1999
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas (A)
    • Review Section
      Science and Engineering
    • Research Institution
      Hokkaido University
  •  化学反応系における電子相関軌道に関する理論的研究Principal Investigator

    • Principal Investigator
      野呂 武司
    • Project Period (FY)
      1995
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  化学反応系における電子相関軌道に関する理論的研究Principal Investigator

    • Principal Investigator
      野呂 武司
    • Project Period (FY)
      1994
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  化学反応系における電子相関軌道に関する理論的研究Principal Investigator

    • Principal Investigator
      野呂 武司
    • Project Period (FY)
      1993
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  遷移金属錯体の機能発現に関する電子論的研究

    • Principal Investigator
      田中 皓
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      The University of Electro-Communications
  •  化学反応系における電子相関軌道に関する理論的研究Principal Investigator

    • Principal Investigator
      野呂 武司
    • Project Period (FY)
      1992
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  生体内遷移金属錯体の電子状態と機能発現に関する理論的研究

    • Principal Investigator
      山口 兆
    • Project Period (FY)
      1991
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  二核遷移金属錯体の理論的研究

    • Principal Investigator
      田中 皓
    • Project Period (FY)
      1990
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  遷移金属表面と吸着分子との相互作用のメカニズム:金属クラスターを用いた理論的解析

    • Principal Investigator
      OHNO Kimio
    • Project Period (FY)
      1987 – 1989
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  遷移金属表面における触媒作用メカニズムの理論的解析

    • Principal Investigator
      大野 公男
    • Project Period (FY)
      1987
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Research Institution
      Hokkaido University
  •  Computation on the Electronic States of Benzen and Halo-Benzene by Taking into Account the Electron Correlation

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

All 2013 2012 2011 2010 2009 2008 2007 2006 2004 2003 2002

All Journal Article Presentation Book

  • [Book] QM/MM Study of Excited State Solvation Dynamics of Biomolecules in Hydrogen Bonding and Transfer in the Excited State2010

    • Author(s)
      T. Taketsugu, D. Kina, A. Nakayama, T. Noro, and M. S. Gordon
    • Publisher
      Wiley
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Book] QM/MM Study of Excited State Solvation Dynamics of Biomolecules, Hydrogen Bonding and Transfer in the Excited State( edited by K.-L.Han and G.-J.Zhao)2010

    • Author(s)
      T.Taketsugu, D.Kina, A.Nakayama, T.Noro, M.S.Gordon
    • Publisher
      Wiley(in press)
    • Data Source
      KAKENHI-PROJECT-18066001
  • [Book] Recent Developments of Relativistic Model Core Potential Method : Recent Advances in Relativistic Effects in Chemistry2003

    • Author(s)
      E.Miyoshi, Y.Sakai, Y.Osanai, T.Noro
    • Total Pages
      29
    • Publisher
      World Scientific Publishing Co.Ltd, Singapore
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] A multireference perturbation study of the NN stretching frequency of trans-azobenzene in n * excitation and an implication for the photoisomerization mechanism2013

    • Author(s)
      Y. Harabuchi, M. Ishii, A. Nakayama, T. Noro, and T. Taketsugu
    • Journal Title

      J. Chem. Phys.

      Volume: 138 Pages: 64305-64305

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23655001
  • [Journal Article] Segmented contracted basis sets for atoms H through X : Sapporo-(DK)-nZP sets (n=D, T, Q)2012

    • Author(s)
      T.Noro, M.Sekiya, T.Koga
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 131 Pages: 1124-1131

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Atomic radii for depicting atoms in a molecules : Cu in inert gas matrix2010

    • Author(s)
      T. Naka, Y. Hatano, S. Yamamoto, T. Noro, and H. Tatewaki
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: Vol.83 Pages: 782-787

    • NAID

      10027174968

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Atomic Radii for Depicting Atoms II : The Effective Atomic Radius and van der Waals Radius from H to Xe2010

    • Author(s)
      H.Tatewaki, Y.Hatano, T.Naka, T.Noro, S.Yamamoto
    • Journal Title

      Bull.Chem.Soc.Jpn

      Volume: 83 Pages: 1203-1210

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Atomic Radii for Depicting Atoms in a Molecule : Cu in Inert Gas Matrix2010

    • Author(s)
      T.Naka, Y.Hatano, S.Yamamoto, T.Noro, H.Tatewaki
    • Journal Title

      Bull.Chem.Soc.Jpn

      Volume: 83 Pages: 782-787

    • NAID

      10027174968

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Relativistic Correlating basis sets for La-57 and Ac-892010

    • Author(s)
      M. Sekiya, T. Noro, T. Koga, and S. L. Saito
    • Journal Title

      J. Comp. Chem.

      Volume: Vol.31 Pages: 497-499

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Relativistic Correlating Basis Sets for 57La and 89Ac2010

    • Author(s)
      M.Sekiya, T.Noro, T.Koga, S.L.Saito
    • Journal Title

      J.Comp.Chem. 31

      Pages: 497-499

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Atomic radii for depicting atoms in a molecules II : The effective atomic radius and van der Waals radius from H-1 to Xe-542010

    • Author(s)
      H. Tatewaki, Y. Hatano, T. Naka, T. Noro, and S. Yamamoto
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: Vol.83 Pages: 1203-1210

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Segmented contracted basis sets for atoms H through Xe : Sapporo-(DK)-nZP (n=D, T, Q) sets2010

    • Author(s)
      T. Noro, M. Sekiya, and T. Koga
    • Journal Title

      Theoret. Chem. Acc.

      Volume: Vol.131 Pages: 1124-1124

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Theoretical study of Ar-MCO (M=Pd, Pt)2010

    • Author(s)
      Y. Taketsugu, T. Noro, and T. Taketsugu
    • Journal Title

      Chem. Phys. Lett.

      Volume: Vol.484 Pages: 139-143

    • NAID

      120001788345

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Relativistic contracted Gaussian-type basis functions for atoms K through Xe2010

    • Author(s)
      T. Noro, M. Sekiya, T. Koga, and S. L. Saito
    • Journal Title

      Chem. Phys. Lett.

      Volume: Vol.481 Pages: 229-233

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Relativistic contracted Gaussian-type basis functions for K through Xe2009

    • Author(s)
      T.Noro, M.Sekiya, T.Koga, S.L.Saito
    • Journal Title

      Chem.Phys.Lett. 481

      Pages: 229-233

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Journal Article] Ab initio molecular dynamics simulation with internal constraint on photoisomerization of azobenzene in n-π* state2009

    • Author(s)
      Y.Ootani, K.Satoh, A.Nakayama, T.Noro, T.Taketsugu
    • Journal Title

      J. Chem. Phys. 131

      Pages: 194306-194306

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18066001
  • [Journal Article] Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution2009

    • Author(s)
      D.Kina, P.Arora, A.Nakayama, T.Noro, M.S.Gordon, T.Taketsugu
    • Journal Title

      Int. J. Quant. Chem. 109

      Pages: 2308-2318

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18066001
  • [Journal Article] Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution2009

    • Author(s)
      D. Kina, P. Arora, A. Nakayama, T. Noro, M.S. Gordon, and T. Taketsugu
    • Journal Title

      Int. J. Quant. Chem.

      Volume: 109 Pages: 2308-2318

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Journal Article] Ab initio molecular dynamics simulation with internal constraint on photoisomerization of azobenzene in n-π state2009

    • Author(s)
      Y. Ootani, K. Satoh, A. Nakayama, T. Noro, and T. Taketsugu
    • Journal Title

      J. Chem. Phys.

      Volume: 131 Pages: 194306-194306

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Journal Article] Ab initio QM/MM molecular dynamics study on the excited state proton transfer of 7-azaindole in water solution2008

    • Author(s)
      D. Kina, A. Nakayama, T. Noro, T. Taketsugu, and M. S Gordon
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 9675-9683

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18066001
  • [Journal Article] Ab initio QM/MM molecular dynamics study on the excited state proton transfer of 7-azaindole in water solution2008

    • Author(s)
      D.Kina, A.Nakayama, T.Noro, T.Taketsugu, M.S Gordon
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 9675-9683

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18066001
  • [Journal Article] Revised Model Core Potentials for First Row Transition Metal Atoms from Sc to Zn2008

    • Author(s)
      Y Osanai, M. Ma San, T. Noro, M. Mori, H. Nakayama, M. Klubukowski, And E. Miyoshi
    • Journal Title

      Chem. Phys. Lett 452

      Pages: 210-214

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18550001
  • [Journal Article] Relativistic Correlating Basis Sets for Actinide Atoms from 90Th to 103Lr2007

    • Author(s)
      Takeshi Noro
    • Journal Title

      J. Comput. Chem (In press)

    • Data Source
      KAKENHI-PROJECT-18550001
  • [Journal Article] Relativistic Correlating Basis Sets for Actinide Atoms from Th to Lr2007

    • Author(s)
      T. Noro, M. Sekiya, Y. Osanai, T. Koga, and H. Matsuyama
    • Journal Title

      J. Comput. Chem. 28

      Pages: 2511-2516

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18550001
  • [Journal Article] Relativistic Correlating Basis Sets for Actinide from 90Th to 103Lr2007

    • Author(s)
      Takeshi Noro
    • Journal Title

      J. Comput. Chem. 28

      Pages: 2511-2516

    • Description
      「研究成果報告書概要(和文)」より
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18550001
  • [Journal Article] Relativistic Correlation Basis Sets for Lanthanide Atoms from Ce to Lu2006

    • Author(s)
      M. Sekiya, T. Noro, E. Miyoshi, Y. Osanai, and T. Koga
    • Journal Title

      J. Comput. Chem. 27

      Pages: 463-470

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-18550001
  • [Journal Article] Relativistic correlation basis sets for lanthanide atoms from Ce to Lu2006

    • Author(s)
      M.Sekiya, T.Noro, E.Miyoshi, Y.Osanai, T.Koga
    • Journal Title

      J. Comput. Chem. 27

      Pages: 463-463

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-16550001
  • [Journal Article] Relativistic correlating basis sets for the sixth-period d-block2004

    • Author(s)
      Y.Osanai, T.Noro, E.Miyoshi, M.Sekiya, T.Koga
    • Journal Title

      J.Chem.Phys. 120

      Pages: 6408-6413

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Relativistic correlating basis sets for the sixth-period d-block Atoms from Lu to Hg2004

    • Author(s)
      Y.Osanai, T.Noro, E.Miyoshi, M.Sekiya, T.Koga
    • Journal Title

      J.Chem.Phys. 120

      Pages: 6408-6413

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Relativistic correlating basis sets for the main group elements2003

    • Author(s)
      T.Noro, M.Sekiya, Y.Osanai, E.Miyoshi, T.Koga
    • Journal Title

      J.Chem.Phys. 119

      Pages: 5142-5148

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Recent Development of Relativistic Model Core Potential Method2003

    • Author(s)
      E.Miyoshik, Y.Sakai, Y.Osanai, T.Noro
    • Journal Title

      Recent Advances in Relativistic Effects in Chemistry (World Scientific Publishing Co.Ltd, Singapore)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Relativistic correlating basis sets for the main group elements From Cs to Ra2003

    • Author(s)
      T.Noro, M.Sekiya, Y.Osanai, E.Miyoshi, T.Koga
    • Journal Title

      J.Chem.Phys. 119

      Pages: 5142-5148

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Correlating basis sets for the H atom and the alkali-metal atoms From Li to Rb2003

    • Author(s)
      T.Noro, M.Sekiya, T.Koga
    • Journal Title

      Theor.Chem.Acc. 109

      Pages: 85-90

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Correlating basis sets for the H and the alkali-metal atoms form Li to Rb2003

    • Author(s)
      T.Noro, M.Sekiya, T.Koga
    • Journal Title

      Theor.Chem.Acc. 109

      Pages: 85-90

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Relativistic correlating basis functions for the Ga-Kr, In-Xe, and Tl-Rn atoms2002

    • Author(s)
      Y.Osanai, T.Noro, E.Miyoshi
    • Journal Title

      J.Chem.Phys. 117

      Pages: 9623-9629

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Valenece and correlating basis sets for the second transition-metal atoms from Y to Cd2002

    • Author(s)
      Y.Osanai, M.Sekiya, T.Noro, T.Koga
    • Journal Title

      Mol.Phys. 101

      Pages: 65-71

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Relativistic correlating basis sets for the Ga-Kr, In-Xe and Tl-Rn atoms2002

    • Author(s)
      Y.Osanai, T.Noro, E.Miyoshi
    • Journal Title

      J.Chem.Phys. 117

      Pages: 9623-9629

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Journal Article] Valenece and correlating basis sets for the second transition-Metal atoms from Y to Cd2002

    • Author(s)
      Y.Osanai, M.Sekiya, T.Noro, T.Koga
    • Journal Title

      Mol.Phys. 101

      Pages: 65-71

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-14540459
  • [Presentation] トランスアゾベンゼンの励起振動分光と異性化機構に関する理論的研究2012

    • Author(s)
      原渕祐、石井萌、佐藤公則、野呂武司、武次徹也
    • Organizer
      日本化学会春季年会
    • Place of Presentation
      日吉、慶応大学
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Presentation] 相対論効果を考慮したPtCN/PtNCの分光定数の高精度計算2011

    • Author(s)
      小野ゆり子、野呂武司、武次徹也
    • Organizer
      分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター・札幌市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Sapporo基底関数: La-Luの高性能縮約型基底関数の開発と応用2011

    • Author(s)
      関谷雅弘、野呂武司、古賀俊勝、島崎剛
    • Organizer
      分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター・札幌市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Sapporo基底関数: p-ブロック原子の内殻電子相関を考慮した基底関数の開発2011

    • Author(s)
      野呂武司、関谷雅弘、古賀俊勝
    • Organizer
      分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター・札幌市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] PtCNに関する理論的研究2011

    • Author(s)
      小野ゆり子、野呂武司、武次徹也
    • Organizer
      第5回分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター
    • Data Source
      KAKENHI-PROJECT-23655001
  • [Presentation] Sapporo基底関数: La-Luの高性能縮約型基底関数の開発2010

    • Author(s)
      関谷雅弘、野呂武司、古賀俊勝、島崎剛
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学・大阪市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Sapporo基底関数:La-Luの高性能縮約基底関数の開発2010

    • Author(s)
      関谷、野呂、古賀
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-14
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Sappro基底関数: H-Xeの高性能縮約基底関数の開発と公開2010

    • Author(s)
      野呂武司、関谷雅弘、古賀俊勝
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学・大阪市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] 舘脇洋2010

    • Author(s)
      中貴俊、秦野やす世、山本茂義、野呂武司
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学・大阪市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Sapporo基底関数:H-Xeの高性能縮約基底関数の開発と公開2010

    • Author(s)
      野呂、関谷、古賀
    • Organizer
      分子科学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-15
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] QM/MM-AIMD法によるクマリン151励起状態緩和過程の理論的研究2009

    • Author(s)
      喜名大輔、中山哲、野呂武司、Mark S. Gordon、武次徹也
    • Organizer
      第12回理論化学討論会
    • Place of Presentation
      東京、東京大学
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Presentation] Ab initio molecular dynamics simulation with internal constraint on photoisomerization of azobenzene in nπ* state2009

    • Author(s)
      Y. Ootani, K. Satoh, A. Nakayama, T. Noro, and T. Taketsugu
    • Organizer
      13th International Congress of Quantum Chemistry
    • Place of Presentation
      Helsinki, Finland
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Presentation] 解離性再結合反応H+(H2O)2+e-に関する理論的研究2009

    • Author(s)
      森井健人、中山哲、野呂武司、武次徹也
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Ab initio拘束分子動力学法によるアゾベンゼンの光異性化機構の解明1 : S1(npi*)状態2009

    • Author(s)
      大谷優介、佐藤公則、野呂武司、武次徹也
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] 相対論効果を考慮したK-Xeの縮約型基底関数2009

    • Author(s)
      野呂武司、関谷雅弘、古賀俊勝、齊藤史郎
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] 相対論効果を考慮したランタニドの縮約型基底関数2009

    • Author(s)
      関谷雅弘、野呂武司、古賀俊勝、島崎剛、齊藤史郎
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] 相対論を考慮したK-Xeの縮約基底関数2009

    • Author(s)
      野呂、関谷、古賀、齋藤
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] van der Waals半径(球)と分子軌道解析支援3D描画システム2009

    • Author(s)
      秦野やす世、中貴俊、舘脇洋、山本茂義、野呂武司
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • [Presentation] Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution2009

    • Author(s)
      T. Taketsugu, D. Kina, P. Arora, A. Nakayama, T. Noro, and M. S. Gordon
    • Organizer
      13th International Congress of Quantum Chemistry
    • Place of Presentation
      Helsinki, Finland
    • Data Source
      KAKENHI-PROJECT-21350002
  • [Presentation] Ab initio拘束分子動力学法によるアゾベンゼンの光異性化機構の解明2 : S2(pipi*)状態2009

    • Author(s)
      佐藤公則、大谷優介、野呂武司、武次徹也
    • Organizer
      分子科学討論会
    • Place of Presentation
      名古屋大学・名古屋市
    • Data Source
      KAKENHI-PROJECT-21550001
  • 1.  TANAKA Kiyoshi (00000860)
    # of Collaborated Projects: 7 results
    # of Collaborated Products: 0 results
  • 2.  SASAKI Fukashi (90000794)
    # of Collaborated Projects: 5 results
    # of Collaborated Products: 0 results
  • 3.  SEKIYA Masahiro (60241296)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 25 results
  • 4.  TAKETSUGU Tetsuya (90280932)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 14 results
  • 5.  NAKAYAMA Akira (10422007)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 12 results
  • 6.  KOGA Toshikatsu (90113688)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 25 results
  • 7.  山本 裕一 (10240128)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 0 results
  • 8.  OHNO Kimio (40000731)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 9.  舘脇 洋 (20002115)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 10.  三好 永作 (70148914)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 8 results
  • 11.  OBARA Shigeru (80160935)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 12.  HONDA Hiroaki (80404044)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 13.  山口 兆 (80029537)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results

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