SAKAI Shogo 酒井章吾

… Alternative Names

酒井章吾サカイシヨウゴ

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Researcher Number	40221262
Other IDs
Affiliation (based on the past Project Information) *help	2006 – 2009: 岐阜大学, 工学部, 教授 2004: Gifu University, Faculty of Engineering, Professor, 工学部, 教授 1997 – 2003: 大阪産業大学, 工学部, 教授 1992 – 1995: 大阪産業大学, 工学部, 助教授 1990: 大阪産業大学, 助教授
Review Section/Research Field	Principal Investigator Science and Engineering / 工業物理化学 / Physical chemistry
Keywords	Principal Investigator ab initio MO / Ziegler-Natta / ペリ環状反応 / CiLC-IRC / Diels-Alder反応 / 分子軌道法 / 芳香族性 / ぺり環状反応 / IDA / IMiC MO … More / ブタジェン / CiLC解析 / エン反応 / 擬ペリ環状反応 / IMiC MO法 / 金属-エン反応機構 / エチレン / 配位子設計 / 補助触媒 / 均一触媒 / 軌道対称性 / カルベン / ジボラン / 反応メカニズム / Pseudopericyclic Reaction / 1,3-Dipolar Reaction / Cope Rearrangement / Pericyclic Reaction / Diels-Alder Reaction / CiLC / Aromaticity / Mills-Nixon効果 / コープ転位反応 / CiLC解析法 / 軌道対称性理論 / ぺり環状反応機構 / 置換基効果 / スイッチング分子 / 溶媒効果 / 環化反応機構 / Claisen反応 / Cope転移反応 / 1、3-双極子付加反応 / 1,3-Dipolar / Cope rearrangements / electro-cyclic reaction / ヘキサトリエン / Conical Intersection / 視覚化プログラム / o-Xylylene / ab innitio MO / ヘキサジエン / IMiCMO / 1,3-Dipolar反応 / Cope転位 / Disrotatory / Conrotatory / carben / molecular orbital / シリコン / Ab initio MO / カルペン / Ziegler-Natta反応 / シリルブタジェン / プタジェン / ケイ素反応 / [2+2+2]付加反応 / 段階反応 / 協奏反応 / Schmittel反応 / 分子軌道諭 / Myers-Saito環化反応 / エン反応機構 / クライゼン転位 / 幾何拘束型触媒 / Kaminnsky型触媒 / Ziegler-Natta触媒 / IMic Mo法 / CiLc-IRC解析 / クライゼン転移 / クライゼン反応 / 金属エン反応 / [2+2;2]付加反応 / 1,3-双局子反応機構 / [2+2+2]付加反応機構 / 電子状態 / 1、2-水素脱離 / 触媒反応 / オレフィン / ルイス塩基 / Ab initio / 反応経路 / アンモニア / 触媒重合 / ab initio / シラン / シリレン / エーテル / 挿入反応 / Al原子 / 非経験的分子軌道法 … More Except Principal Investigator 水素転移 / 分子素子 / エンインーアレン / エンジイン / ビラジカル生成反応 / 非経験的分子軌道法 Less

高周期元素を含むペリ環状反応の設計および制御に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Gifu University
金属触媒の反応機構の設計・制御に関する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Gifu University
高周期元素を含むペリ環状反応の設計および制御に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Gifu University
Theoretical Studies on the Pericyclic Reaction MechanismsPrincipal Investigator
- Principal Investigator
  
  SAKAI Shogo
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Gifu University
Theoretical Studies on the Design and Control of Pricyclic ReactionsPrincipal Investigator
- Principal Investigator
  
  SAKAI Shogo
- Project Period (FY)
  2002 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  工業物理化学
- Research Institution
  Gifu University
  Osaka Sangyo University
金属解媒反応機構の制御と設計に関する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka Sangyo University
金属触媒反応機構の制御と設計に関する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka Sangyo University
Theoretical Studies on the reaction control and the molecular design for the ground and excited states of electrocyclic reactionsPrincipal Investigator
- Principal Investigator
  
  SAKAI Shogo
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  工業物理化学
- Research Institution
  Osaka Sangyo University
The Molecular Control and Design for Chemical Reaction Mechanisms of Metal Compounds.Principal Investigator
- Principal Investigator
  
  SAKAI Shogo
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  工業物理化学
- Research Institution
  Osaka Sangyo University
典型金属化合物の関与する化学反応設計に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Osaka Sangyo University
典型金属の関与する化学反応設計に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Osaka Sangyo University
典型金属の関与する化学反応設計に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Osaka Sangyo University
典型金属原子の関与する化学反応設計に対する理論的研究Principal Investigator
- Principal Investigator
  
  酒井章吾
- Project Period (FY)
  1992
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Osaka Sangyo University
ヘテロ有機化合物の素反応と有機求核付加反応の理論設計
- Principal Investigator
  
  諸熊奎治
- Project Period (FY)
  1990
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Okazaki National Research Institutes

All 2009 2008 2007 2006 2005 2004 2003 2002

All Journal Article Presentation

[Journal Article] Calculations suggest facile hydrogen relase from water using boranes and alanes as catalysts2009
- Author(s)
  S. Swinnen, V. S. Nguyen, Shogo Sakai, M. T. Nguyen
- Journal Title
  
  Chem. Phys. Lett. 472
  
  Pages: 175-180
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Structures and the Aromaticity for Condensed Cyclobutadienoids Series : The Combination of Kekule Structures2009
- Author(s)
  S.Sakai, T.Udagawa, Y.Kita
- Journal Title
  
  J.Phys.Chem.A 113
  
  Pages: 13964-13971
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Theoretical Studies of Electronic Structure of the Mixed Aluminum and Sodium Cluster Al2Na2009
- Author(s)
  L.Lin, Y.Kita, T.Udagawa, S.Sakai, M.T.Nguyen
- Journal Title
  
  Chem.Phys.Lett. 476
  
  Pages: 236-239
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Production of hydrogen from reactions of methane with boranes2009
- Author(s)
  S.Swinnen, V.S.Nguyen, S.Sakai, M.T.Nguyen
- Journal Title
  
  Phys.Chem.Chem.Phys. 11
  
  Pages: 9703-9709
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] The role of bridging group of cyclopentadienyl ligands for Ziegler-Natta catalysis : Theoretical Study2009
- Author(s)
  S.Sakai, Y.Kojima
- Journal Title
  
  Topics in Catalysis 52
  
  Pages: 772-778
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Theoretical Studies on the role of bridging of CGC type ligands for the Ziegler-Natta catalysis2009
- Author(s)
  S.Sakai, Y.Kojima
- Journal Title
  
  J.Organometaric Chem. 694
  
  Pages: 3276-3280
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Calculations suggest facile hydrogen relase from water using boranes and alanes as catakysts2009
- Author(s)
  S.Swinnen, V.S.Nguyen, S.Sakai, M.T.Nguyen
- Journal Title
  
  Chem.Phys.Lett. 472
  
  Pages: 175-180
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Theoretical Studies on the Photochemical Reaction Mechanisms of O-xylylene. Effects of Phenyl group for electrocyclic Reaction Mechanism2008
- Author(s)
  S. Sakai, T. Yamada
- Journal Title
  
  Chemical Physics Physical Chemistry 10
  
  Pages: 3861-3866
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Theoretical Studies of Metallo (Li and Na)-Ene Reaction Mechanisms.2008
- Author(s)
  S. Sakai, T. Hikida
- Journal Title
  
  Journal of Physical Chemistry A 112
  
  Pages: 10985-10992
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Criteria for pericyclic and pseudopericyclic Character of electrocyclization of (Z)-1,2,4,6-heptatetraene and (2Z)-1,2,4,5-hexatriene-1-imine2008
- Author(s)
  S. Sakai
- Journal Title
  
  Theoretica Chemica Accounts 120
  
  Pages: 177-183
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Theoretical Studies on the Photochemical Reaction Mechanisms of O-xylylene. Effects of Phenyl group for electrocyclic Reaction Mechanism.2008
- Author(s)
  S. Sakai, T. Yamada
- Journal Title
  
  Chemical Physics Physical Chemistry 10
  
  Pages: 3861-3866
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies of Metallo (Li and Na)-Ene Reactyion Mechanisms2008
- Author(s)
  S. Sakai, T. Hikida
- Journal Title
  
  J. Phys, Chem. A. 112
  
  Pages: 10985-10992
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Criteria for pericyclic and pseudopericyclic character of electrocyclization of (Z)-1,2.4.6-heptatetraene and (2Z)-2,4,5-hexatriene-1-imine2008
- Author(s)
  S. Sakai
- Journal Title
  
  Theor. Chem. Account 120
  
  Pages: 177-183
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies of Metallo (Li and Na)-Ene Reaction Mechanisms2008
- Author(s)
  S. Sakai, T, Hikida
- Journal Title
  
  Journal of Physical Chemistry A 112
  
  Pages: 10985-10992
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038020
[Journal Article] Criteria for pericyclic and pseudopericyclio Character of electrocyclization of (Z)-l, 2, 4, 6-heptatetraene and (2Z)-2, 4, 5-hexatriene-1-imine2008
- Author(s)
  S. Sakai
- Journal Title
  
  Theoretica Chemica Accounts 120
  
  Pages: 177-183
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Photochemical Reaction Mechanisms of o-Xylylene. Effects of Phenyl Group for Elrctrocyclic Reaction Mechanism2008
- Author(s)
  Sakai, T. Yamada
- Journal Title
  
  Physical Chemistry Chemical Physics 10
  
  Pages: 3861-3866
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Synthesis,Structure and Properties of TIF-Carboxlate Bridged Paddlewheel Dirhodium Complexes,Rh2(ButCO2)3(TTFCO2) and Rh2(ButCO2)2(TTFCO2)22007
- Author(s)
  M.Ebihara, M.Nomura, S.Sakai, and T.Kawamura
- Journal Title
  
  Inorg.Chim.Acta 360
  
  Pages: 2345-2352
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19028022
[Journal Article] Synthesis, Structure and Properties of TTF-Carboxylate Bridged Paddlewheel Dirhodium Complexes, Rh2(ButCO2)3(TTFCO2)and Rh2(ButCO2)2(TTFCO2)2.2007
- Author(s)
  M. Ebihara, M. Nomura, S. Sakai, and T. Kawamura
- Journal Title
  
  Inorg. Chim. Acta 360
  
  Pages: 2345-2352
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Synthesis,Structure and Properties of TTF-Carboxylate Bridged Paddlewheel Dirhodium Complexes,Rh2(ButCO2)3(TTFCO2) and Rh2(ButCO2)2(TTFCO2)22007
- Author(s)
  M.Ebihara, M.Nomura, S.Sakai, and T.Kawamura
- Journal Title
  
  Inorg.Chim.Acta 360
  
  Pages: 2345-2352
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029016
[Journal Article] Theoretical Studies on the Role of Bridging Group of Cp Ligands for the Ziegler-Natta Catalysis2007
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 804
  
  Pages: 35-39
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029016
[Journal Article] Theoretical study on the role of bridging group of Cp ligands for the Ziegler-Natta catalysis.2007
- Author(s)
  S.Sakai
- Journal Title
  
  J. Mol. Struc.(THEOCHEM) 804・1-3
  
  Pages: 35-39
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Role of Bridging Group of Cp Ligands for the Ziegler-Natta Catalysis2007
- Author(s)
  S. Sakai, J. Mol
- Journal Title
  
  Struc.(THEOCHEM) 804
  
  Pages: 35-39
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels-Alder Reactions of Butadiene with Silaethylene and Disilene2007
- Author(s)
  H. Wakayama, S. Sakai
- Journal Title
  
  J. Phys. Chem. A 111
  
  Pages: 13575-13582
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels-Alder Reactions of Butadiene with Silaethylene and Disilene.2007
- Author(s)
  H. Wakayama, S. Sakai
- Journal Title
  
  J. Phys. Chem. A 111
  
  Pages: 13575-13582
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Synthesis, Structure and Properties of TTF-Carboxylate Bridged Paddlewheel Dirhodium Complexes, Rh2(ButCO2)3(TTFCO2) and Rh2(ButCO2)2(TTFCO2)22007
- Author(s)
  M. Ebihara, M. Nomura, S.Sakai, and T. Kawamura
- Journal Title
  
  Inorg. Chim. Acta 360
  
  Pages: 2345-2352
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels-Alser Resctions of Butadiene with Silaethylene and Disilene2007
- Author(s)
  H.Wakayama, S.Sakai
- Journal Title
  
  J.Phys.Chem.A 111
  
  Pages: 13575-13582
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19028022
[Journal Article] Theoretical Studies on the Role of Bridging Group of Cp Ligands for the Ziegle r-Natta Catalysis2007
- Author(s)
  S. Sakai
- Journal Title
  
  J. Mol. Struc. (THEOCHEM) 804
  
  Pages: 35-39
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels-Alder Reactions of Butadiene with Silaethylene and Disilene2007
- Author(s)
  H.Wakayama, S.Sakai
- Journal Title
  
  J.Phys.Chem.A 111
  
  Pages: 13575-13582
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029016
[Journal Article] Theoretical Studies on the Role of Bridging Group of Cp Ligands for the Ziegler-Natta Catalysis2007
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 804
  
  Pages: 35-39
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19028022
[Journal Article] Theoretical study on the Aromaticity of Transition States in Pericyclic Reactions.2006
- Author(s)
  S.Sakai
- Journal Title
  
  J. Phys. Chem. A 110・19
  
  Pages: 6339-6344
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Electrocyclic Reactions of Bis(allene) and Vinylallene. Role of Allene Group2006
- Author(s)
  S. Sakai
- Journal Title
  
  J. Phys. Chem. A. 110
  
  Pages: 9443-9450
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical study on the Electrocyclic Reactions of Bis(allene) and Vinylallene. Role of Allene Group.2006
- Author(s)
  S.Sakai
- Journal Title
  
  J. Phys. Chem. A 110・30
  
  Pages: 9443-9450
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoreical Study on the Aromaticity of Transition States in Pericyclic Reactions2006
- Author(s)
  S. Sakai
- Journal Title
  
  J. Phys. Chem. A. 110
  
  Pages: 6339-6344
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Ene Reaction Mechanisms of Propene and Cyclopropene with Ethylene and Cyclopropene : Concerted and Stepwise2006
- Author(s)
  S. Sakai
- Journal Title
  
  J. Phys. Chem. A. 110
  
  Pages: 12891-12899
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical study on the Ene Reaction Mechanisms of propene and cyclopropene with ethylene and cyclopropene : Concerted and Stepwise.2006
- Author(s)
  S.Sakai
- Journal Title
  
  J. Phys. Chem. A 110・47
  
  Pages: 12891-12899
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Li+ Ion Hydration System by the Molecular Dynamics Simulations with Ab Initio IMiC MO Method2006
- Author(s)
  S. Morita and S. Sakai
- Journal Title
  
  Bull. Chem. Soc. Japan 79
  
  Pages: 397-405
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical Studies on the Li+ Ion Hydoration System by the Molecular Dynamics Simulations with Ab Initio IMiC MO Method.2006
- Author(s)
  S.Sakai, S.Morita
- Journal Title
  
  Bull. Chem. Soc. Japan 79・3
  
  Pages: 397-405
- Data Source
  KAKENHI-PROJECT-18550015
[Journal Article] Theoretical study on the aromaticity of o-, m-, and p-benzyne2005
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 715
  
  Pages: 101-105
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical study on the aromaticity of o-,m-,and p-benzyne.2005
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 715
  
  Pages: 101-105
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Study on the Aromaticity of o-, m-, and p-benzyne.2005
- Author(s)
  S.Sakai
- Journal Title
  
  Journal of Molecular Structure (THEOCHEM) 715
  
  Pages: 101-105
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical studies on the substituent effects for concerted and stepwise mechanisms of the Diels-Alder reaction between butadiene and ethylene.2004
- Author(s)
  S.Sakai, T.Okumura
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 685
  
  Pages: 89-95
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Determination of the Electronic Mechanisms of 1,3-Dipolar Cycloaddition Reactions of Fulminic Acide and Diazomethane.2004
- Author(s)
  S.Sakai, M.T.Nguyen
- Journal Title
  
  Journal of Physical Chemistry A 108
  
  Pages: 9169-9179
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Determination of the Electronic Mechanisms of 1,3-Dipolar Cycloaddition Reactions of Fulminic Acide and Diazomethane.2004
- Author(s)
  S.Sakai, M.T.Nguyen
- Journal Title
  
  J.Phys.Chem.A 108
  
  Pages: 9169-9179
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Studies on the Substituent Effects for Concerted and Stepwise Mechanisms of the Diels-Alder Reaction between Butadiene and Ethylene.2004
- Author(s)
  S.Sakai, T.Okumura
- Journal Title
  
  Journal of Molecular Structure (THEOCHEM) 685
  
  Pages: 89-95
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] New Criterion of Aromaticity and Implications for the (4n+2)π Rule.2003
- Author(s)
  S.Sakai
- Journal Title
  
  J.Phys.Chem.A 107
  
  Pages: 9422-9427
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] New Critewrion of Aromaticity and Implications for the (4n+2)π Rule.2003
- Author(s)
  S.Sakai
- Journal Title
  
  Journal of Physical Chemistry A 107
  
  Pages: 9422-9427
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions : Experimental and Theoretical Evaluations of the Effect of Planarity Constraints.2003
- Author(s)
  P.S.Lee, S.Sakai, P.Horstermann, W.R.Roth, E.A.Kallel, K.N.Houk
- Journal Title
  
  J.Am.Chem.Soc. 125
  
  Pages: 5839-5848
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions : Experimental and Theoretical Evaluations of the Effect of Planarity Constraints.2003
- Author(s)
  P.S.Lee, S.Sakai, P.Horstermann, W.R.Roth, E.A.Kallel, K.N.Houk
- Journal Title
  
  Journal of American Chemical Society 125
  
  Pages: 5839-5848
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Analysis of Concerted and Stepwise Mechanisms of the Hetero-Diels-Alder Reaction of Butadiene with Formaldehyde and Thioformaldehyde.2003
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 630
  
  Pages: 177-185
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Electronic Structures of Trithiapentalene Analogues.2003
- Author(s)
  S.Sakai
- Journal Title
  
  Mol.Phys. 101
  
  Pages: 1339-1343
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Study on the Aromaticity of Benzenes Annelated to Small Rings.2002
- Author(s)
  S.Sakai
- Journal Title
  
  Journal of Physical Chemistry A 106
  
  Pages: 11526-11532
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Studies on the Validity of B3LYP Density Functional Theory for Symmetrical Cyclic Reactions2002
- Author(s)
  S.Sakai
- Journal Title
  
  Internet Elec.J.Mol.Desig. 2002
  
  Pages: 462-466
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Analysis of Cyclic Reaction Mechanisms of Two Ethylenes.2002
- Author(s)
  S.Sakai
- Journal Title
  
  Int.J.Quantum Chem. 90
  
  Pages: 549-554
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Studies on the Validity of B3LYP Density Functional Theory for Symmetrical Cyclic Reactions.2002
- Author(s)
  S.Sakai
- Journal Title
  
  Internet Elec.J.Mol.Desig. 2002
  
  Pages: 462-466
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] New Criterion on the Aromaticity of Six-Membered Rings.2002
- Author(s)
  S.Sakai
- Journal Title
  
  Journal of Physical Chemistry A 106
  
  Pages: 10370-10373
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Study on the Aromaticity of Benzenes Annelated to Small Rings.2002
- Author(s)
  S.Sakai
- Journal Title
  
  J.Phys.Chem.A 106
  
  Pages: 11526-11532
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Analysis of Cyclic Reaction Mechanisms of Two Ethylenes.2002
- Author(s)
  S.Sakai
- Journal Title
  
  Int.J.Quantum Chem. 99
  
  Pages: 549-554
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] Theoretical Analysis of the Cope Rearrangement of 1,5-Hexadiene and Phenyl Derivatives2002
- Author(s)
  S.Sakai
- Journal Title
  
  J.Mol.Struc.(THEOCHEM) 583
  
  Pages: 181-188
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Journal Article] New Criterion on the Aromaticity of Six-Membered Rings.2002
- Author(s)
  S.Sakai
- Journal Title
  
  J.Phys.Chem.A 106
  
  Pages: 10370-10373
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14550795
[Presentation] 大規模水クラスターの水素結合ネットワークに対するトポロジー的解析2009
- Author(s)
  石井崇史、宇田川太郎、酒井章吾
- Organizer
  4^<th>第3回分子科学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] Theoretical Studies of Metallo(Mg-H, and Mg-Cl)-Ene Reaction Mechanisms2009
- Author(s)
  Tomoyuki Yamada, Taro Udagawa, Shogo Sakai
- Organizer
  4^<th> 13th International Congress of Quantum Chemistry
- Place of Presentation
  Helsinki, Finland
- Year and Date
  2009-06-23
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] IMiCMO法を用いた大規模プロトン化水クラスターにおける水素結合ネットワーク構造とクラスターサイズ効果に関する理論的研究2009
- Author(s)
  宇田川太郎、酒井章吾
- Organizer
  4^<th>第3回分子科学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 電子の動的過程と金属との関連性に着目した金属-エン反応機構の解明2009
- Author(s)
  山田知幸、宇田川太郎、酒井章吾
- Organizer
  4^<th>第12回理論化学討論会
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 電子の動的過程と金属との関連性に着目した金属-エン反応機構の解明2009
- Author(s)
  山田知幸、宇田川太郎、酒井章吾
- Organizer
  4^<th>「実在系の分子理論」平成21年度第1回公開シンポジウム
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-30
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] エン反応における協奏および段階経路の選択制2009
- Author(s)
  山田知幸、宇田川太郎、酒井章吾
- Organizer
  4^<th>第3回分子科学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] Theoretical Studies on the structures and the Aromaticity for condensed cyclobutadienoids series.2009
- Author(s)
  Shogo Sakai, Taro Udagawa, Yuki Kita
- Organizer
  4^<th> International Symposium on Theory of Molecular Structure, Function and Reactivity.-Celebrating Prof. Morokuma's 75th Birthday
- Place of Presentation
  Kyoto University
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] ケクレ構造の組み合わせによる共役四員環連続体の構造および芳香族性の予測2009
- Author(s)
  喜多勇貴、宇田川太郎、酒井章吾
- Organizer
  4^<th>第20回基礎有機化学論会
- Place of Presentation
  群馬大学工学部桐生キャンパス、桐生市
- Year and Date
  2009-09-30
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] Theoretical Studies on the Structures and the Aromaticity for Condensed Cyclobutadienoids Series : New Combination Method of Kekule Structures2009
- Author(s)
  S.Sakai
- Organizer
  4^<th> Asian Pacific Conference of Theoretical and Computational Chemistry
- Place of Presentation
  The Legend Water Chalets, Port Dickson, Malaysia
- Year and Date
  2009-12-22
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 小型水クラスターの構造及び安定性を基にした巨大水クラスターへの展開2009
- Author(s)
  石井崇史、宇田川太郎、酒井章吾
- Organizer
  4^<th>第12回理論化学討論会
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] Theoretical Investigation of Large Water Clusters using Integrated Multicenter MO(IMiC MO)method2009
- Author(s)
  Taro Udagawa, Shogo Sakai
- Organizer
  4^<th> 13th International Congress of Quantum Chemistry
- Place of Presentation
  Helsinki, Finland
- Year and Date
  2009-06-23
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 5員環アレン類似体の電子状態に関する理論的解析2009
- Author(s)
  宇田川太郎、Minh Tho Nguyen, 酒井章吾
- Organizer
  4^<th>第12回理化学討論会
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 四員環連続体の安定性および芳香族性の起源2009
- Author(s)
  喜多勇貴、宇田川太郎、酒井章吾
- Organizer
  4^<th>第3回分子科学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2009-09-22
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] CnH4四員環連続体の構造と芳香族性に関する理論的研究-ピッケル則を考慮したその安定性の予見-2009
- Author(s)
  喜多勇貴、宇田川太郎、酒井章吾
- Organizer
  4^<th>第12回理論化学討論会
- Place of Presentation
  東京大学武田先端知ビル武田ホール
- Year and Date
  2009-05-29
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] ブタジェンとジアゼンによるDiels-Alder反応(協奏反応機構と段階反応機構の接点)2008
- Author(s)
  山内拓巳, 宇田川太郎, 酒井章吾
- Organizer
  第11回理論化学討論会
- Place of Presentation
  慶応義塾大学
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] 金属(Li, Na)-エン反応機構の理論的研究。協奏機構か段階機構かあるいは金属触媒機構?2008
- Author(s)
  酒井章吾, 疋田貴大
- Organizer
  第19回基礎有機化学討論会
- Place of Presentation
  大阪大学コンベンションセンター
- Year and Date
  2008-10-05
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies of Metallo(Lianf Na)-Ene Reaction Mechanisms2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] あるペリ環状反応機構の理論的一考察2008
- Author(s)
  酒井章吾
- Organizer
  第15回北海道理論化学オープンセミナー2008
- Place of Presentation
  北海道教育大学釧路校
- Year and Date
  2008-08-17
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Study on the role of bridging of Cp ligands for the Ziegler-Natta catalysis.2008
- Author(s)
  酒井章吾, 小島幸弘
- Organizer
  International Symposium on Creation and Control of Advanced Selective Catalysis asthe celebration of 50th anniversary of the Catalysis Society of Japan (ICC)
- Place of Presentation
  Kyouto University
- Year and Date
  2008-07-10
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies on the Photochemical Electrocyclic Reaction Mechanisms2008
- Author(s)
  酒井章吾
- Organizer
  The 2nd International Symposium on Molecular Theory for Reral Systems
- Place of Presentation
  Okazaki Conference Center, Institute for Molecular Science
- Year and Date
  2008-08-05
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies of Metallo (Li anf Na) -Ene Reaction Mechanisms2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] メタル(Li, Na)エン反応機構は"エン"反応か金属触媒反応か?2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] メタル(Li, Na)エン反応機構ばエゾ反応か金属触媒反応か?2008
- Author(s)
  酒井章吾, 疋田貴大
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] ブタジェンとジアゼンによるDiels-Alder 反応(協奏反応機構と段階反応機構の接点)2008
- Author(s)
  山内拓巳、宇田川太郎、酒井章吾
- Organizer
  第11回理論化学討論会
- Place of Presentation
  慶応義塾大学理工学部矢上キャンパス
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Study on the role of bridging of Cp ligands for the Ziegler-Natta catalysis2008
- Author(s)
  酒井章吾、小島幸弘
- Organizer
  International Symposium on Creation and Control of Advanced Selective Catalysis as the celebration of 50th anniversary of the Catalysis Society of Japan
- Place of Presentation
  京都大学
- Year and Date
  2008-07-10
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Study on the role of bridging of Cp ligands for the Ziegler-Natta catalysis2008
- Author(s)
  酒井章吾、小島幸弘
- Organizer
  International Symposium on Creation and Control of Advanced Selective Catalysis as the celebration of 50th anniversary of the Catalysis Society of Japan (ICC)
- Place of Presentation
  Kyouto University
- Year and Date
  2008-07-10
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] あるペリ環状反応機構の理論的一考察2008
- Author(s)
  酒井章吾
- Organizer
  第15回北海道理論化学オープンセミナー2008
- Place of Presentation
  北海道教育大学釧路校
- Year and Date
  2008-08-17
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies of Metallo (Li anf Na) - Ene Reaction Mechanisms2008
- Author(s)
  酒井章吾, 疋田貴大
- Organizer
  Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies on the Photochemical Electrocyclic Reaction Mechanisms2008
- Author(s)
  酒井章吾
- Organizer
  The 2nd International Symposium on Molecular Theory for Reral Systems
- Place of Presentation
  Okazaki Conference Center, Institute for Molecular Science
- Year and Date
  2008-08-05
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] 金属(Li, Na)ーエン反応機構の理論的研究。協奏機構か段階機構かあるいは金属触媒機構?2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  第19回基礎有機化学討論会
- Place of Presentation
  大阪大学コンベンションセンター
- Year and Date
  2008-10-05
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] 金属(Li, Na)ーエン反応機構の理論的研究。協奏機構か段階機構かあるいは金属触媒機構?2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  第19回基礎有機化学討論会
- Place of Presentation
  大阪大学コンベンションセンター
- Year and Date
  2008-10-05
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] Theoretical Studies on the Photochemical Electrocyclic Reaction Mechanisms2008
- Author(s)
  酒井章吾
- Organizer
  The 2nd International Symposium on Molecular Theory for Reral Systems
- Place of Presentation
  Okazaki Conference Center
- Year and Date
  2008-08-05
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] メタル(Li, Na)エン反応機構は"エン"反応か金属触媒反応か?2008
- Author(s)
  酒井章吾、疋田貴大
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] あるペリ環状反応機構の理論的一考察2008
- Author(s)
  酒井章吾
- Organizer
  第15回北海道理論化学オープンセミナー2008
- Place of Presentation
  北海道教育大学釧路校
- Year and Date
  2008-08-17
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] IMiC MO法を用いたH3O+(H2O)nクラスターの理論的解析2008
- Author(s)
  宇田川太郎、酒井章吾
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] ブタジェンとジアゼンによるDiels-Alder反応(協奏反応機構と段階反応機構の接点)2008
- Author(s)
  山内拓巳、宇田川太郎、酒井章吾
- Organizer
  第11回理論化学討論会
- Place of Presentation
  慶応義塾大学
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-20038020
[Presentation] IMiC MO法を用いたH3O+(H2O)nクラスターの理論的解析2008
- Author(s)
  宇田川太郎、酒井章吾
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies on the [2+2+2]reaction mechanism2007
- Author(s)
  武田敬太郎、酒井章吾
- Organizer
  International Symmposium on Molecular Theory for Real Systems
- Place of Presentation
  京都大学
- Year and Date
  2007-07-28
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] 高周期元素を含むペリ環状反応の設計および制御に対する理論的研究2007
- Author(s)
  酒井章吾
- Organizer
  特定領域研究「実在系の分子理論」第三回公開シンポジウム
- Place of Presentation
  岡崎コンファレンスセンター
- Year and Date
  2007-05-12
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Pericyclic raction mechanisms and aromaticity2007
- Author(s)
  酒井章吾
- Organizer
  Practicing Chemistry with Theoretical Tools. On the occasion of Professor Mark S. Gordon's 65th Birthday
- Place of Presentation
  Maui Prince Hotel
- Year and Date
  2007-01-16
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] o-キシリレンの光励起電子環状反応機構に関する理論的研究2007
- Author(s)
  山田豊和、酒井章吾
- Organizer
  第10回理論化学討論会
- Place of Presentation
  名古屋大学野依記念学術交流館
- Year and Date
  2007-05-15
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] [2+2+2]反応機構と芳香族性に関する研究2007
- Author(s)
  武田敬太郎、酒井章吾
- Organizer
  第1回分子科学討論会
- Place of Presentation
  東北大学
- Year and Date
  2007-09-20
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Theoretical Studies on the electrocyclic reactions of bisallene and vinylallene. -Rolw of allene group2006
- Author(s)
  酒井章吾
- Organizer
  XIIth International Congress of Quantum Chemistry
- Place of Presentation
  Kyoto Terrsa, Japan
- Year and Date
  2006-05-22
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] 計算化学から見た化学反応2006
- Author(s)
  酒井章吾
- Organizer
  広島大学量子生命科学セミナー
- Place of Presentation
  広島大学
- Year and Date
  2006-12-01
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] アレン基を含む電子反応環状機構に関する新しい解釈2006
- Author(s)
  酒井章吾
- Organizer
  2006分子構造総合討論会
- Place of Presentation
  静岡大学
- Year and Date
  2006-09-20
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] Ziegler-Natta型触媒の配位子の役割に関する理論的解析および設計2006
- Author(s)
  酒井章吾
- Organizer
  コンピュータ化学部会、有機金属部会合同例会
- Place of Presentation
  大阪科学技術センター
- Year and Date
  2006-10-24
- Data Source
  KAKENHI-PROJECT-18550015
[Presentation] 幾何拘束型チーグラー・ナッタ触媒の配位子架橋の役割に関する理論的研究2006
- Author(s)
  木村純一朗、酒井章吾
- Organizer
  第29回情報化学討論会
- Place of Presentation
  朱鷺メッセ、新潟
- Year and Date
  2006-11-14
- Data Source
  KAKENHI-PROJECT-18550015

1. TAKANE Shinya (20243199)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 諸熊奎治 (40111083)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 古賀伸明 (80186650)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

SAKAI Shogo 酒井 章吾

酒井 章吾 サカイ シヨウゴ

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高周期元素を含むペリ環状反応の設計および制御に対する理論的研究Principal Investigator

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金属触媒の反応機構の設計・制御に関する理論的研究Principal Investigator

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高周期元素を含むペリ環状反応の設計および制御に対する理論的研究Principal Investigator

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Theoretical Studies on the Pericyclic Reaction MechanismsPrincipal Investigator

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Theoretical Studies on the Design and Control of Pricyclic ReactionsPrincipal Investigator

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金属解媒反応機構の制御と設計に関する理論的研究Principal Investigator

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金属触媒反応機構の制御と設計に関する理論的研究Principal Investigator

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Theoretical Studies on the reaction control and the molecular design for the ground and excited states of electrocyclic reactionsPrincipal Investigator

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The Molecular Control and Design for Chemical Reaction Mechanisms of Metal Compounds.Principal Investigator

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典型金属化合物の関与する化学反応設計に対する理論的研究Principal Investigator

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典型金属の関与する化学反応設計に対する理論的研究Principal Investigator

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典型金属の関与する化学反応設計に対する理論的研究Principal Investigator

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典型金属原子の関与する化学反応設計に対する理論的研究Principal Investigator

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ヘテロ有機化合物の素反応と有機求核付加反応の理論設計

SAKAI Shogo 酒井章吾

酒井章吾サカイシヨウゴ