NORO Takeshi 野呂武司

… 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

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

NORO Takeshi 野呂 武司

野呂 武司 ノロ タケシ

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Construction of relativistic segmented-type basis setsPrincipal Investigator

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Basis sets for post-HF calculations and WEB applicationPrincipal Investigator

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A theoretical study on charge transfer and other properties induced by conformation conversion of ligands in Ru complexesPrincipal Investigator

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Relativistic Correlating Basis Sets for Heavy ElementsPrincipal Investigator

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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

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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

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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

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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

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NORO Takeshi 野呂武司

野呂武司ノロタケシ