Nakao Yoshihide 中尾嘉秀

… Alternative Names

NAKAKO Yoshihide 中尾嘉秀

NAKAO Yoshihide 中尾嘉秀

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Researcher Number	40362462
Affiliation (Current)	2025: 九州産業大学, 生命科学部, 准教授
Affiliation (based on the past Project Information) *help	2014: 九州産業大学, 工学部, 準教授 2013 – 2014: 九州産業大学, 工学部, 准教授 2011 – 2012: 京都大学, 福井謙一記念研究センター, 准教授 2010: 京都大学, 工学研究科, 助教 2009: 京都大学, 大学院・工学研究科, 助教 2007: Kyoto University, Graduate School of Engineering, Research Associate 2004 – 2006: 京都大学, 工学研究科, 助手
Review Section/Research Field	Principal Investigator Physical chemistry Except Principal Investigator Physical chemistry / Chemistry / Science and Engineering / Science and Engineering / Nanostructural science
Keywords	Principal Investigator Moller-Plesset2次摂動法 / 並列化プログラム / 分子間力 / Local MP2法 / 大規模分子系 / 量子化学 / 電子状態理論 / 電子相関 / 摂動論 / 大規模分子 / 局在化軌道 … More Except Principal Investigator … More 結合性 / 電子状態理論 / 電子相関効果 / 構造 / 遷移金属錯体 / 触媒反応機構 / 機能制御 / 反応制御 / 触媒作用 / 反応機構 / 励起状態 / 複合電子系 / Electron correlation effects / Structure / Bonding Nature / Reaction Mechanism / Transition Metal Complexes / Electronic Structure Theory / 分子構造 / 超原子価結合 / 高周期典型元素 / 触媒反応 / 遷移金属元素 / 電子状態制御 / 配位結合 / Physical properties / Shift operator / スピンクロスオーバー / ポテンシャル面 / スピン転移 / 電子状熊理論 / Function control / Reaction control / シスプラテイン / σ結合活性化 / 理論的研究 / ヘテロ元素 / 触媒サイクル / 遷移状態 / 錯体触媒反応 / 混合原子価錯体 / ナノ分子系 / d電子系 / 多核金属錯体 / d-電子系 / 高精度大規模電子状態法 / 多核遷移金属錯体 / 分子機能 / ｄ電子系 / 高精度大規模電子状態計算法 / 計算化学 / 反応性 / 分子物性 / 高周期典型元素化合物 / 遷移金属化合物 / d電子 / 酸素活性化 / カリックスフィリン / 反応理論 / 分子理論 / 大規模電子状態計算 / 遷移金属 / 実在系 / 理論化学 / π共役分子 / フラーレン / スマネン / コラニュレン / フラーレン錯体 Less

Theoretical Study of Complex Electronic Systems Including d Electron : Fundamental Understanding and Prediction by New Electronic Structure Calculation Method for Large Systems
- Principal Investigator
  
  SAKAKI Shigeyoshi
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Specially Promoted Research
- Review Section
  
  Science and Engineering
  Chemistry
- Research Institution
  Kyoto University
Theoretical Study of Complex Systems including Transition Metal Elements
- Principal Investigator
  
  SAKAKI Shigeyoshi
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
Theoretical Study of Flexible Molecular Systems Possessing Complexed Electronic Structure tOWARDS Reaction Design and Control
- Principal Investigator
  
  SAKAKI Shigeyoshi
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
金属錯体の配位によるフラーレンやカーボンナノチューブなどの電子状態制御
- Principal Investigator
  
  SAKAKI Shigeyoshi
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  Nanostructural science
- Research Institution
  Kyoto University
リアルな大規模分子系に向けた局在化軌道を用いた高精度な理論の開発と応用Principal Investigator
- Principal Investigator
  
  中尾嘉秀
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Theoretical Study of Flexible Molecular Systems Possessing Complexed Electronic Structure Towards Reaction Design and Control
- Principal Investigator
  
  SAKAKI Shigeyoshi
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University

All 2014 2012 2011 2010 2009 2008 2007 2006 2005 2004

All Journal Article Presentation

[Journal Article] Heterolytic Activation of Dihydrogen Molecule by Hydroxo-/Sulfido-Bridged Rutheni um-Germanium Dinuclear Complex. Theoretical Insights2014
- Author(s)
  N. Ochi, T. Matsumoto, T. Dei, Y. Nakao, H. Sato, K. Tatsumi, S. Sakaki
- Journal Title
  
  Inorg. Chem.
  
  Volume: 54 Issue: 2 Pages: 576-585
- DOI
  10.1021/ic502463y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009, KAKENHI-PROJECT-23000007, KAKENHI-PROJECT-25410066, KAKENHI-PUBLICLY-15H00940, KAKENHI-PROJECT-15H03770
[Journal Article] Highly luminescent imidoylamidinato platinum(II)complexes formed by the coupling of 1H-pyrazole-l-carboxamidine with nitriles used as reaction solvents2014
- Author(s)
  Tomohiro Tanaka, Rie Nouchi, Yoshihide Nakao, Yasuhiro Arikawaa, Keisuke Umakoshi*a
- Journal Title
  
  RSC Advances
  
  Volume: 4 Issue: 107 Pages: 62186-62189
- DOI
  10.1039/c4ra11744a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009, KAKENHI-PROJECT-24550081
[Journal Article] Complicated Electronic Process of C-C sigma-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study2012
- Author(s)
  Atsushi Ishikawa, Yudai Tamura, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki (Atsushi Ishikawa)
- Journal Title
  
  Organometallics
  
  Volume: 31 Issue: 23 Pages: 8189-8199
- DOI
  10.1021/om300811g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Effects of Carbon-Metal-Carbon Linkages on the Optical, Photophysical, and Electrochemical Properties of Phosphametallacycle-Linked Coplanar Porphyrin Dimers2012
- Author(s)
  俣野善博、松本和明、林宏暢、中尾嘉秀、Tatu Kumpulainen、Vladimir Chukharev、Nikolai V.Tkachenko、Helge Lemmetyinen、清水宗治、小林長夫、酒巻大輔、伊藤彰浩、田中一義、今堀博
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 134 Issue: 3 Pages: 1825-1839
- DOI
  10.1021/ja210205v
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-10J03334, KAKENHI-PROJECT-11J05486, KAKENHI-PROJECT-22000009, KAKENHI-PROJECT-22350016, KAKENHI-PUBLICLY-23108708, KAKENHI-PROJECT-23550040, KAKENHI-PLANNED-20108007, KAKENHI-PROJECT-23350095
[Journal Article] Oscillator Strength of Symmetry-Forbidden d-d Absorption of Octahedral Transition Metal Complex: Theoretical Evaluation2012
- Author(s)
  Ken Saito, Yoshinori Eishiro, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki (Ken Saito)
- Journal Title
  
  Inorg. Chem.
  
  Volume: 51 Issue: 5 Pages: 2785-2792
- DOI
  10.1021/ic2017402
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate2012
- Author(s)
  Seiji Akatsu, Yasunori Kanematsu, Taka-aki Kurihara, Shota Sueyoshi, Yasuhiro Arikawa, Masayoshi Onishi, Yoshihide Nakao, Shigeyoshi Sakaki et al. (S. Akatsu)
- Journal Title
  
  Inorg. Chem.
  
  Volume: 51 Issue: 15 Pages: 7977-7992
- DOI
  10.1021/ic202663q
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009, KAKENHI-PROJECT-24550081
[Journal Article] Theoretical Study on High-Spin to Low-Spin Transition of {Fe(pyrazine)[Pt(CN)4]} : Guest-Induced Entropy Decrease2011
- Author(s)
  H.Ando, Y.Nakao, H.Sato, M.Ohba, S.Kitagawa, S.Sakaki
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 511 Pages: 399-404
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Theoretical Study of Excited States of Pyrazolate-bridged and Pyridinethiolate-bridged Dinuclear Platinum(II) Complexes : Relation between Geometries of Excited States and Phosphorescence Spectra2011
- Author(s)
  K.Saito, Y.Nakao, K.Umakoshi, S.Sakaki
- Journal Title
  
  Inorg.Chem.
  
  Volume: 50(in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Pd(II)-Promoted Direct Cross-Coupling Reaction of Arenes via Highly Regioselective Aromatis C-H Activation : A Theoretical Study2010
- Author(s)
  A.Ishikawa, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Dalton Transaction
  
  Volume: 39 Pages: 3279-3289
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Inverted Sandwich Type Dinuclear Chromium(I) Complex and Its Analogues of Scandium(I), Titanium(I), Vanadium(I), Manganese(I), and Iron(I): Theoretical Study of Electronic Structure and Bonding Nature2010
- Author(s)
  Kurokawa, Y. ?I.; Nakao, Y.; Sakaki, S.
- Journal Title
  
  J. Phy. Chem. A (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of 1,6-Anhydrosugar Formation from Phenyl D-Glucosides under Basic Condition : Reasons for Higher Reactivity of beta-Anomer2010
- Author(s)
  T.Hosoya, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J.Org.Chem.
  
  Volume: 75 Pages: 8400-8409
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Theoretical Study of Excited States of Pyrazolate- and Pyridinethiolate-Bridged Dinuclear Platinum(II) Complexes : Relationship between Geometries of Excited States and Phosphorescence Spectra2010
- Author(s)
  K.Saito, Y.Nakao, K.Umakoshi, S.Sakaki
- Journal Title
  
  Inorg.Chem..
  
  Volume: 49 Pages: 8977-8985
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Experimental and Theoretical Study of a Tungsten Dihydride Silyl Complex : New Insight into Its Bonding Nature and Fluxional Behavior2010
- Author(s)
  M.Ray, Y.Nakao, H.Sato, S.Sakaki, T.Watanabe, H.Hashimoto, H.Tobita
- Journal Title
  
  Organometallics
  
  Volume: 29 Pages: 6267-6281
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009
[Journal Article] Bonding Nature of Open-Lantern-type Dinuclear Cr(II) Complexes. Theoretical Study with the MRMP2 Method2009
- Author(s)
  Korokawa, Y.-I.; Nakao, Y.; Sakaki, S.
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 3202-3209
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Oxygen Atom Transfer Reactions of Iridium and Osmium Complexes: Theoretical Study of Characteristic Features and Significantly Large Differences Between These Two Complexes2009
- Author(s)
  Ishikawa, A.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  Inorg. Chem. 48
  
  Pages: 8154-8163
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Dioxygen Activation Mechanism in Iron(III) Catechol Dioxygenase : "Oxygen Activation" vs. "Substrate Activation"2009
- Author(s)
  N.Nakatani, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J.Phys.Chem.B 113
  
  Pages: 4826-4836
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] A Theoretical Study of Nickel(O)-Catalyzed Phenylcyanation of Alkynes. Reaction Mechanism and Regioselectivity2009
- Author(s)
  Y.Ohnishi, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 28
  
  Pages: 2583-2594
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] How to Stabilize η_3-Silapropargyl/Alkynylsilyl Complex of [CpL_2M]^(+) (L=CO, PMe_3, or PF_3 and M=W or Mo) : Theoretical Prediction2009
- Author(s)
  M.Ray, Y.Nakao, H.Sato, H.Sakaba, S.Sakaki
- Journal Title
  
  Organometallics 28
  
  Pages: 65-73
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] How to stabilize eta(3)-Silapropargyl/Alkynylsilyl Complex of [CpL2M](+)(L=CO,PMe3, or PF3 and M=W or Mo)2009
- Author(s)
  M. Ray、Y. Nakao、H. Sato、H. Sakaba、S. Sakaki
- Journal Title
  
  Theoretical Prediction、Organometallics 28(1)
  
  Pages: 65-73
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Pyrazolate-Bridged Dinuclear Platinum(II) Complexes: Interesting Potential Energy Curve of the Lowest Energy Triplet Excited State and Phosphorescence Spectra2008
- Author(s)
  Saito, K.; Nakao, Y.; Sakaki, S.
- Journal Title
  
  Inorg. Chem. 47
  
  Pages: 4329-4337
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Why does fluoride anion accelerate transmetalation between vinylsilane and palladium(II)-Vinyl complex?Theoretical Study2008
- Author(s)
  A. Sugiyama、Y. Ohnishi、M. Nakaoka、Y. Nakao、H. Sato、S. Sakaki、Y. Nakao、T. Hiyama
- Journal Title
  
  J. Am. Chem. Soc. 130
  
  Pages: 12975-12985
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Frontier Orbital Consistent Quantum Capping Potential(FOC-QCP)for Bulky Ligand of Transition Metal Complexes2008
- Author(s)
  Y. Ohnishi, Y. Nakao, H. Sato, and S. Sakaki
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 1946-1955
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Pyrazolate -Bridged Dinuclear Platinum(II) Complexes : Interesting Potential Energy Curve of the Lowest Energy Triplet Excited State and Phosphorescence Spectra2008
- Author(s)
  K. Saito、Y. Nakao、S. Sakaki
- Journal Title
  
  Inorg. Chem. 47
  
  Pages: 5033-5035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Pyrazolate-Bridged Dinuclear Platinum(II) Complexes : Interesting Potential Energy Curve of the Lowest Energy Triplet Excited State and Phosphorescence Spectra2008
- Author(s)
  Ken Saito, Yoshihide Nakao and Shigeyoshi Sakaki
- Journal Title
  
  Inorg. Chem. 47
  
  Pages: 5033-5035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium (II)-Vinyl Complex? Theoretical Study2008
- Author(s)
  Akihiro Sugiyama, Yu-ya Ohnishi, Mayu Nakaoka, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki, Yoshiaki Nakan and Tamejiro Hivama
- Journal Title
  
  J. Am. Chem. Soc. 130
  
  Pages: 12975-12985
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Frontier Orbital Consistent Quantum Capping potential (FOC-QCP) for Bulky Ligand of Transition Metal Complexes2008
- Author(s)
  Y. Ohishi、Y. Nakao、H. Sato、S. Sakaki
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 1946-1955
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Heteropolynuclear complexes of 3,5-dimethylpyrazolate [Pt2M4(Me(2)pz)(8)] (M=Ag, Cu). Highly luminescent character of the triplet excited state based on mixed-metal cores2008
- Author(s)
  K. Umakoshi、T. Kojima、K. Saito、S. Akatsu、M. Ohnishi、S. Ishizaka、N. Kitamura、Y. Nakao、S. Ssakaki、Y. Ozawa
- Journal Title
  
  Inorganic Chem. 47(12)
  
  Pages: 5033-5035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Regioselective beta-metalation of meso-phosphanyl porphyrins. Structure and optical properties of porphyrin dimmers linked by peripherally fused phosphametallacycles2008
- Author(s)
  Y. Matano、T. Miyajima、N. Ochi、T. Nakabuchi、M. Shiro、Y. Nakao、S. Sakaki、H. Imahori
- Journal Title
  
  J. Am. Chem. Soc. 130(14)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)-Vinyl Complex? Theoretical Study2008
- Author(s)
  Sugiyama, A.; Ohnishi, Y.-y.; Nakaoka, M.; Nakao, Y.; Sato, H.; Sakaki, S.; Nakao, Y.; Hiyama, J.
- Journal Title
  
  Am. Chem. Soc. 130
  
  Pages: 12975-12985
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Binding energies and bonding nature of MX(CO) (PH3) (2) (C-60) (M=Rh or Ir, X=H or Cl) : Theoretical study2007
- Author(s)
  A., Ikeda, Y., Kameno, Y., Nakao, S., Sakaki
- Journal Title
  
  Journal of Organometallic Chemistry 692
  
  Pages: 299-306
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Thoretical study of low-spin, high-spin,andintermediate-spin states of [Fe-III8pap)(2)](+) (pap=N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of light-induced wxcited spin state trapping2007
- Author(s)
  H., ando, Y., Nakao, H., Sato, S., Sakaki
- Journal Title
  
  Journal of Physical Chem. A 111
  
  Pages: 5515-5522
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical study of low-spin, high-spin, and intermediate-spin states of [Fe-III(pap)(2)](+) (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of light-induced excited spin state trapping2007
- Author(s)
  Hideo Ando, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Journal of Physical Chemistry A 111
  
  Pages: 5515-5522
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of C-H and N-H σ-Bond Activation Reactions by Titinium(IV)-Imido Complex. Well Understanding based on Orbital Interaction and Theoretical Proposal for N-H σ-Bond Activation of Ammonia2007
- Author(s)
  Ochi, N.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  J. Am. Chem. Soc. 129
  
  Pages: 8615-8624
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Low-Spin, High-Spin, and Intermediate-Spin States of [Fe-III(pap)(2)]+ (pap = N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of Light-Induced Excited Spin State Trapping2007
- Author(s)
  H. Ando, Y. Nakao, H. Sato, S. Sakaki
- Journal Title
  
  Journal of Physical Chem. A 111
  
  Pages: 5515-5522
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical study of oxidative additions of H-2 and MeCN to a nickel(0) complex : Significantly large correlation effects and characteristic features of the reaction2007
- Author(s)
  Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Journal of Physical Chemistry A 111
  
  Pages: 7915-7924
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Localization or delocalization in the electronic structure of Creutz-Taube-type complexes in aqueous solution2007
- Author(s)
  D., Yokogawa, Y., Nakao, H., Sato, S., Sakaki
- Journal Title
  
  Inorganic Chemistry 46
  
  Pages: 1966-1974
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical Study of Oxidative Additions of H2 and MeCN to Nickel(0) Complex: Significantly Large Correlation Effects and Characteristic Features of the Reaction2007
- Author(s)
  Ohnishi, Y.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  J. Phys. Chem. A 111
  
  Pages: 7915-7924
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Low-Spin, High-Spin, and Intermediate-Spin States of [FeIII(pap)2]+ (pap=N-2-pyridyl-methylidene-2-hydroxy-phe nylaminato). Mechanism of Light-Induced Excited Spin State Trapping2007
- Author(s)
  Ando, H.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  J. Phys. Chem. A 111
  
  Pages: 5515-5522
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Binding energies and bonding nature of MX(CO)(PH3)(2)(C-60)(M=Rh or Ir, X=H or Cl): Theoretical study2007
- Author(s)
  A. Ikeda, Y. Kameno, Y. Nakao, S. Sakaki
- Journal Title
  
  Journal of Organometallic Chemistry 692
  
  Pages: 299-306
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical study of tungsten eta(3)-Silaallyl/eta(3)-Vinylsilyl and vinyl silylene complexes : Interesting bonding nature and relative stability2007
- Author(s)
  Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Organometallics 26
  
  Pages: 4413-4423
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical study of C-H and N-H sigma-bond activation reactions by titinium(IV)-imido complex. Good understanding based on orbital interaction and theoretical proposal for N-H sigma-bond activation of ammonia2007
- Author(s)
  Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Journal of the American Chemical Society 129
  
  Pages: 8615-8624
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Thoretical study of low-spin, high-spin, andintermediate-spin states of[Fe-III8pap)(2)](+)(pap=N-2-pyridylmethylidene-2-hydroxyphenylaminato). Mechanism of light-induced wxcited spin state trapping.2007
- Author(s)
  H. Ando, Y. Nakao, H. Sato, S. Sakaki
- Journal Title
  
  Journal of Physical Chem. A 111
  
  Pages: 5515-5522
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical Study of Tungstenη3-Silaallyl/η3- Vinylsilyl and Vinyl Silylene Complexes: Interesting Bonding Nature and Relative Stability2007
- Author(s)
  Ray, M.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  Organometallics 26
  
  Pages: 4413-4423
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Localization or delocalization in the electronic structure of Creutz-Taube-type complexes in aqueous solution2007
- Author(s)
  D. Yokogawa, Y. Nakao, H. Sato, S. Sakaki
- Journal Title
  
  Inorganic Chemistry 46
  
  Pages: 1966-1974
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Localization or Delocalization in the Electronic Structure of Creutz-Taube-Type Complexes in Aqueous Solution2007
- Author(s)
  Yokogawa, D.; Sato, H.; Nakao, Y.; Sakaki, S.
- Journal Title
  
  Inorg. Chem. 46
  
  Pages: 1966-1974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Binding energies and bonding nature of MX (CO) (PH3) (2) (C-60) (M=Rh or Ir, X=H or C1) : Theoretical study2007
- Author(s)
  A. Ikeda, Y. Kameno, Y. Nakao, S. Sakaki
- Journal Title
  
  Journal of Organometallic Chemistry 692
  
  Pages: 299-306
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article]2007
- Author(s)
  Ohnishi, Y.-y.; Nakao, Y.; Sato, H.; Sakaki, S.
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 1946-1955
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Deep Blue Mixed-Valenct PtIII-PtIII-PtII Complex [Pt3Br2 (?-pz)6] (pz = pyrazolate) Showing Valence-Detrapping Behavior in Solution2006
- Author(s)
  Keisuke Umakoshi, Takashi Kojima, Yung Hun Kim, Masayoshi Ohnishi, Yoshihide Nakao, Shigeyoshi Sakaki
- Journal Title
  
  Chem. Eur. J. 12
  
  Pages: 6521-6527
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] New Analysis of Molecular orbital wave functions based on resonance theory2006
- Author(s)
  Atsushi, Ikeda, Yoshihide, Nakao, Shigeyoshi, Sakaki
- Journal Title
  
  J. Phys. Chem. A 108
  
  Pages: 9710-9717
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of[Cp(CO)_2W]^+. Theoretical Study of Their Interesting Bonding Nature and Formation Reaction2006
- Author(s)
  Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, and Shigeyoshi Sakaki
- Journal Title
  
  J. Am. Chem. Soc., 128
  
  Pages: 11927-11939
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] New Analysis of Molecular orbital wave functions based on resonance theory2006
- Author(s)
  Atsushi Ikeda, Yoshihide Nakao, Shigeyoshi Sakaki,
- Journal Title
  
  J. Phys. Chem. A 108
  
  Pages: 9710-9717
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical Study of Significant Acceleration by Water Molecule2006
- Author(s)
  Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Organometallics 25
  
  Pages: 3352-3363
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Deep Blue Mixed-Valeact Pt^<III>-Pt-^<III> Pt^<II> Complex [Pt_3Br_2(u-Pz)_6] (pz = pyrazolate) Showing Valence-Detrapping Behavior in Solution2006
- Author(s)
  Keisuke, Umakoshi, Takashi, Kojima, Yung, Hun, Kim, Masayoshi, Ohnishi, Yoshihide, Nakao, Shigeyoshi, Sakaki
- Journal Title
  
  Chem. Eur. J 12
  
  Pages: 6521-6527
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical Study of Significant Acceleration by Water Molecule2006
- Author(s)
  Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, and Shigeyoshi Sakaki
- Journal Title
  
  Organometallics 25
  
  Pages: 3352-3363
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of [Cp(CO)2W]+. Theoretical Study of Their Interesting Bonding Nature and Formation Reaction2006
- Author(s)
  Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, Shigeyoshi Sakaki
- Journal Title
  
  J. Am. Chem. Soc. 128
  
  Pages: 11927-11939
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Theoretical Study of Rhenium Dimer Complexes: Re-Re Bonding Nature and Electronic Structure2006
- Author(s)
  Saito, K.; Nakao, Y.; Sato, S.; Sakaki, S.
- Journal Title
  
  J. Phys. Chem. A 110
  
  Pages: 9710-971
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] T Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of [Cp(CO)_2W]^+. Theoretical Study of Their Interesting Bonding Nature and Formation Reaction2006
- Author(s)
  Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, Shigeyoshi Sakaki
- Journal Title
  
  J.Am.Chem.Soc. 128
  
  Pages: 11927-11939
- Data Source
  KAKENHI-PROJECT-17651057
[Journal Article] Deep Blue Mixed-Valenct PtIII-PtIII-PtII Complex [Pt3Br2 (・ -pz) 6] (pz = pyrazolate) Showing Valence-Detrapping Behavior in Solution2006
- Author(s)
  Keisuke Umakoshi, Takashi Kojima, Yung Hun Kim, Masayoshi Ohnishi, Yoshihide Nakao, Shigeyoshi Sakaki
- Journal Title
  
  Chem.Eur.J. 12
  
  Pages: 6521-6527
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of [Cp(C0)2W]+. Theoretical Study of Their Interesting Bonding Nature and Formation Reaction2006
- Author(s)
  Mausumi Ray, Yoshihide Nakao, Hirofumi Sato, Hiroyuki Sakaba, Shigeyoshi Sakaki
- Journal Title
  
  J.Am.Chem.Soc. 128
  
  Pages: 11927-11939
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical Study of Significant Acceleration by Water Molecule2006
- Author(s)
  Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Organometallics 25
  
  Pages: 3352-3363
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] New Analysis of Molecular orbital wave functions based on resonance theory2006
- Author(s)
  Atsushi Ikeda, Yoshihide Nakao, Shigeyoshi Sakaki
- Journal Title
  
  J. Phys. Chem. A 108
  
  Pages: 9710-9717
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical Study of Significant Acceleration by Water Molecule2006
- Author(s)
  Yu-ya, Ohnishi, Yoshihide, Nakao, Hirofumi, Sato, Shigeyoshi, Sakaki
- Journal Title
  
  Otganometallics 25
  
  Pages: 3352-3363
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] New Analysis of Molecular orbital wave functions based on resonance theory2006
- Author(s)
  Atsushi Ikeda, Yoshihide Nakao, Shigeyoshi Sakaki
- Journal Title
  
  J.Phys.Chem.A 108
  
  Pages: 9710-9717
- Data Source
  KAKENHI-PROJECT-18066006
[Journal Article] Theoretical Study of Rhenium Dimer Complexes : Re-Re Bonding Nature and Electronic Structure2006
- Author(s)
  Ken Saito, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  J.Phys.Chem.A 110
  
  Pages: 9710-9717
- Data Source
  KAKENHI-PROJECT-17651057
[Journal Article] Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical Study of Significant Acceleration by Water Molecule2006
- Author(s)
  Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
- Journal Title
  
  Organometallics 25
  
  Pages: 3352-3363
- Data Source
  KAKENHI-PROJECT-17651057
[Journal Article] Silapropargyl/Silaallenyl and Silylene Acetylide Complexes of [Cp(CO)_2W]^+.Theoretical Study of Their Interesting Bonding Nature and Formation Reaction2006
- Author(s)
  Mausumi, Ray, Yoshihide, Nakao, Hirofumi, Sato, Hiroyuki, Sakaba, Shigeyoshi, Sakaki
- Journal Title
  
  J. Am. Chem. Soc 128
  
  Pages: 11927-11939
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Deep Blue Mixed-Valenct Pt^<111>-Pt^<111>-Pt^<11> Complex[Pt_3Br_2(μ-pz)_6](pz=pyrazolate)Showing Valence-Detrapping Behavior in Solution2006
- Author(s)
  Keisuke Umakoshi, Takashi Kojima, Yung Hun Kim, Masayoshi Ohnishi, Yoshihide Nakao, Shigeyoshi Sakaki,
- Journal Title
  
  Chem. Eur. J. 12
  
  Pages: 6521-6527
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350005
[Journal Article] Stabilization of Vinylidene-type and Acetylene-type Si2H2 Species by Coordination with Rhodium(I) and Platinum(0) Complexes. Theoretical Proposals,2005
- Author(s)
  Y.Kuramoto, N.Sawai, Y.Fujiwara, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 24
  
  Pages: 3655-3663
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Silyl-Bridged Dinuclear Palladium(I) and Platinum(I) Complexes, M_2(μη^2-H SiH_2)_2(PH_3)_2 (M = Pd or Pt). New Insight into the Bonding Nature2005
- Author(s)
  S.Nakajima, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki, K.Osakada
- Journal Title
  
  Organometallics 24
  
  Pages: 4029-4038
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of M(PH_3)_2 Complexes of C_60, Corannulene (C_20H_10), and Sumanene (C_21H_12)(M = Pd or Pt). Unexpectedly Large Binding Energy of M(PH_3)_2(C_60)2005
- Author(s)
  Y.Kameno, A.Ikeda, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J. Phys. Chem. A, 109(35)
  
  Pages: 8055-8063
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Silyl-Bridged Dinuclear Palladium(I) and Platinum(I) Complexes, M_2(μ,η^2-H SiH_2)_2(PH_3)_2 (M=Pd or Pt). New Insight into the Bonding Nature2005
- Author(s)
  Shingo Nakajima, Michinori Sumimoto, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki, Kotaro Osakada
- Journal Title
  
  Organometallics 24
  
  Pages: 4029-4038
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Cp_2Zr-, (MeO)_2Zr-, and M(PH_3)-mediated Coupling Reactions of Acetylenes (M=Ni,Pt), Significant Differences between Early- and Late-Transition-Metal Complexes2005
- Author(s)
  T.Imabayashi, Y.Fujiwara, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 24
  
  Pages: 2129-2140
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects2005
- Author(s)
  Y.Ohnishi, T.Matsunaga, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J.Am.Chem.Soc. 127
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of M(PH_3)_2 Complexes of C_<60>, Corannulene (C_<20>H_<10>), and Sumanene (C_<21>H_<12>) (M=Pd or Pt). Unexpectedly Large Binding Energy of M(PH_3)_2(C_<60>)2005
- Author(s)
  Y.Kameno, A.Ikeda, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J.Phys.Chem.A 109
  
  Pages: 8055-8063
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of M(PH_3)_2 Complexes of C_<60>, Corannulene (C_<20>H_<10>), and Sumanene (C_<21>H_<12>) (M = Pd or Pt). Unexpectedly Large Binding Energy of M(PH_3)_2(C_<60>)2005
- Author(s)
  Y.Kameno, A.Ikeda, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J.Phys.Chem.A, 109(35)
  
  Pages: 8055-8063
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Silyl-Bridged Dinuclear Palladium(I) and Platinum(I) Complexes, M_2(μ,η^2-H SiH_2)_2(PH_3)_2 (M = Pd or Pt). New Insight into the Bonding Nature2005
- Author(s)
  S.Nakajima, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki, K.Osakada
- Journal Title
  
  Organometallics 24
  
  Pages: 4029-4038
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Silyl-Bridged Dinuclear Palladium(I) and Platinum(I) Complexes, M_2(μ,η^2-H SiH_2)_2(PH_3)_2 (M=Pd or Pt). New Insight into the Bonding Nature2005
- Author(s)
  S.Nakajima, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki, K.Osakada
- Journal Title
  
  Organometallics 24
  
  Pages: 4029-4038
- Data Source
  KAKENHI-PROJECT-17651057
[Journal Article] Stabilization of Vinylidene-type and Acetylene-type Si2H2 Species by Coordination with Rhodium(I) and Platinum(O) Complexes. Theoretical Proposals2005
- Author(s)
  Y.Kuramoto, N.Sawai, Y.Fujiwara, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 24
  
  Pages: 3655-3663
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Theoretical Study of Cp_2Zr-, (MeO)_2Zr-, and M(PH_3)-mediated Coupling Reactions of Acetylenes (M = Ni, Pt), Significant Differences between Early- and Late-Transition-Metal Complexes2005
- Author(s)
  T.Imabayashi, Y.Fujiwara, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 24(9)
  
  Pages: 2129-2140
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] Stabilization of Vinylidene-type and Acetylene-type Si2H2 Species by Coordination with Rhodium(I) and Platinum(0) Complexes. Theoretical Proposals2005
- Author(s)
  Y.Kuramoto, N.Sawai, Y.Fujiwara, M.Sumimoto, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 24
  
  Pages: 3655-3663
- Data Source
  KAKENHI-PROJECT-17651057
[Journal Article] Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects2005
- Author(s)
  Y.Ohnishi, T.Matsunaga, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  J. Am. Chem. Soc. 127
  
  Pages: 4021-4032
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Journal Article] A local second-order Moller-Plesset method with localized orbitals : A parallelized efficient electron correlation method2004
- Author(s)
  Yoshihide Nakao
- Journal Title
  
  The Journal of Chemical Physics 120
  
  Pages: 6375-6380
- Data Source
  KAKENHI-PROJECT-16750012
[Journal Article] Bis(μ-silylene)-bridged dinuclear rhodium(0) complex and Its Palladium(0) and Platinum(0) Analogues. Theoretical Study of their Electronic Structure, Bonding Nature, and Interconversion between μ-Disilene-bridged Form and bis(μ-silylene)-bridged Form2004
- Author(s)
  S.Nakajima, D.Yokogawa, Y.Nakao, H.Sato, S.Sakaki
- Journal Title
  
  Organometallics 23
  
  Pages: 4672-4681
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15350012
[Presentation] 3. CASVB法による有機金属化学反応の微視的理解：C-C切断反応への応用2012
- Author(s)
  石川敦之、谷村雄大、中尾嘉秀、佐藤啓文、榊　茂好
- Organizer
  理論化学討論会
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-22000009
[Presentation] Proposal of Frontier-Orbital-Consistent Effective Potential (FOC-EP) and Its Application to Post Hartree-Fock Calculations of Large Transition Metal Complexes2009
- Author(s)
  Y.-I. Kurokawa, Y. Nakao, S. Sakaki
- Organizer
  Asian-Pacific Association of Theoretical and Computational Chemistry (ATATCC-IV)
- Place of Presentation
  Port Dickson, Malaysia
- Data Source
  KAKENHI-PROJECT-18066006

1. SAKAKI Shigeyoshi (20094013)

# of Collaborated Projects: 5 results

# of Collaborated Products: 82 results
2. SATO Hirofumi (70290905)

# of Collaborated Projects: 2 results

# of Collaborated Products: 24 results
3. NAGASE Shigeru (30134901)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. EHARA Masahiro (80260149)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 林宏暢

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Nakao Yoshihide 中尾 嘉秀

NAKAKO Yoshihide 中尾 嘉秀

NAKAO Yoshihide 中尾 嘉秀

Research Projects

Research Products

Co-Researchers

Theoretical Study of Complex Electronic Systems Including d Electron : Fundamental Understanding and Prediction by New Electronic Structure Calculation Method for Large Systems

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical Study of Complex Systems including Transition Metal Elements

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical Study of Flexible Molecular Systems Possessing Complexed Electronic Structure tOWARDS Reaction Design and Control

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

金属錯体の配位によるフラーレンやカーボンナノチューブなどの電子状態制御

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

リアルな大規模分子系に向けた局在化軌道を用いた高精度な理論の開発と応用Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Theoretical Study of Flexible Molecular Systems Possessing Complexed Electronic Structure Towards Reaction Design and Control

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Heterolytic Activation of Dihydrogen Molecule by Hydroxo-/Sulfido-Bridged Rutheni um-Germanium Dinuclear Complex. Theoretical Insights2014

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Highly luminescent imidoylamidinato platinum(II)complexes formed by the coupling of 1H-pyrazole-l-carboxamidine with nitriles used as reaction solvents2014

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Complicated Electronic Process of C-C sigma-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study2012

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Effects of Carbon-Metal-Carbon Linkages on the Optical, Photophysical, and Electrochemical Properties of Phosphametallacycle-Linked Coplanar Porphyrin Dimers2012

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Oscillator Strength of Symmetry-Forbidden d-d Absorption of Octahedral Transition Metal Complex: Theoretical Evaluation2012

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate2012

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Study on High-Spin to Low-Spin Transition of {Fe(pyrazine)[Pt(CN)4]} : Guest-Induced Entropy Decrease2011

Author(s)

Journal Title

Data Source

[Journal Article] Theoretical Study of Excited States of Pyrazolate-bridged and Pyridinethiolate-bridged Dinuclear Platinum(II) Complexes : Relation between Geometries of Excited States and Phosphorescence Spectra2011

Author(s)

Journal Title

Data Source

Nakao Yoshihide 中尾嘉秀

NAKAKO Yoshihide 中尾嘉秀

NAKAO Yoshihide 中尾嘉秀