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1

Delocalization of the Excited State and Emission Spectrum of the Platinum(II) Bipyridine Complex in Crystal: Periodic QM/MM Study

Nakagaki, Masayuki, Aono, Shinji, Kato, Masako, Sakaki, Shigeyoshi

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 834 KB

2020

2

Spin–orbit coupling in a model Hamiltonian for d–d excited states of Ni2+ ion aqueous solution

Satoru Iuchi, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 557 KB

english, 2010

3

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 Nature

Kurokawa, Yusaku I., Nakao, Yoshihide, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.39 MB

english, 2010

4

Theoretical Study of Platinum(0)-Catalyzed Hydrosilylation of Ethylene. Chalk−Harrod Mechanism or Modified Chalk−Harrod Mechanism

Sakaki, Shigeyoshi, Mizoe, Nobuteru, Sugimoto, Manabu

Journal:

Organometallics

Year:

1998

Language:

english

File:

PDF, 430 KB

english, 1998

5

Comparison of Electronic Structure Theories for Solvated Molecules: RISM-SCF versus PCM

Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 104 KB

english, 2004

6

Oxidation Reaction by Xanthine Oxidase. Theoretical Study of Reaction Mechanism

Amano, Tatsuo, Ochi, Noriaki, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 589 KB

english, 2007

7

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 )

Kameno, Yuu, Ikeda, Atsushi, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 397 KB

english, 2005

8

Nickel-Catalyzed Double Carboxylation of Alkynes Employing Carbon Dioxide

Fujihara, Tetsuaki, Horimoto, Yuichiro, Mizoe, Taiga, Sayyed, Fareed Bhasha, Tani, Yosuke, Terao, Jun, Sakaki, Shigeyoshi, Tsuji, Yasushi

Journal:

Organic Letters

Year:

2014

Language:

english

File:

PDF, 752 KB

english, 2014

9

Complicated Electronic Process of C–C σ-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study

Ishikawa, Atsushi, Tanimura, Yudai, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 3.49 MB

english, 2012

10

Theoretical Study of Ruthenium-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid. Reaction Mechanism Involving a New Type of σ-Bond Metathesis

Musashi, Yasuo, Sakaki, Shigeyoshi

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 221 KB

english, 2000

11

Theoretical Study of Photoinduced Epoxidation of Olefins Catalyzed by Ruthenium Porphyrin

Ishikawa, Atsushi, Sakaki, Shigeyoshi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.79 MB

english, 2011

12

Bonding in Ni(PH3)2(C2H4) and Ni(PH3)2(C2H2). Ab initio SCF-MO study

Kitaura, Kazuo., Sakaki, Shigeyoshi., Morokuma, Keiji.

Journal:

Inorganic Chemistry

Year:

1981

Language:

english

File:

PDF, 746 KB

english, 1981

13

A Theoretical Study on the Bond Energy and the Bonding Nature of Dinuclear d10 Metal Complexes: Pt2(PH3)4, PtPd(PH3)4, and Pd2(PH3)4

Sakaki, Shigeyoshi, Ogawa, Masahiro, Musashi, Yasuo

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

14

Generalization of the New Resonance Theory: Second Quantization Operator, Localization Scheme, and Basis Set

Ikeda, Atsushi, Nakao, Yoshihide, Sato, Hirofumi, Sakaki, Shigeyoshi

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 2.02 MB

english, 2009

15

Stabilization of a Silaaldehyde by its η 2 Coordination to Tungsten

Fukuda, Tetsuya, Hashimoto, Hisako, Sakaki, Shigeyoshi, Tobita, Hiromi

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 1.08 MB

english, 2016

16

Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior

Sakaki, Shigeyoshi

Journal:

Bulletin of the Chemical Society of Japan

Year:

2015

Language:

english

File:

PDF, 31.02 MB

english, 2015

17

Cooperative Catalysis of Combined Systems of Transition-Metal Complexes with Lewis Acids: Theoretical Understanding

Guan, Wei, Zeng, Guixiang, Kameo, Hajime, Nakao, Yoshiaki, Sakaki, Shigeyoshi

Journal:

The Chemical Record

Year:

2016

Language:

english

File:

PDF, 1.59 MB

english, 2016

18

[2 + 2]-type Reaction of Metal–Metal σ-Bond with Fullerene Forming an η 1 -C 60 Metal Complex: Mechanistic Details of Formation Reaction and Prediction of a New η 1 -C 60 Metal Complex

Zheng, Hong, Zhao, Xiang, Sakaki, Shigeyoshi

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 2.99 MB

english, 2017

19

How To Perform Suzuki–Miyaura Reactions of Nitroarene or Nitrations of Bromoarene Using a Pd 0 Phosphine Complex: Theoretical Insight and Prediction

Zhong, Rong-Lin, Nagaoka, Masahiro, Nakao, Yoshiaki, Sakaki, Shigeyoshi

Journal:

Organometallics

Year:

2018

Language:

english

File:

PDF, 2.36 MB

english, 2018

20

QM/MM Approach to Isomerization of Ruthenium(II) Sulfur Dioxide Complex in Crystal; Comparison with Solution and Gas Phases

Aono, Shinji, Sakaki, Shigeyoshi

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 6.16 MB

english, 2018

21

Deacylative CarbonâCarbon Bond Cleavage of Ketone Equivalents: Applications to Radical CarbonâCarbon Bond Formation Reactions

Matsumoto, Akira, Nguyen, BichâNgoc, Honda, Tsubasa, Sakamoto, Ryu, Huang, Xiao, Sakaki, Shigeyoshi, Maruoka, Keiji

Journal:

Chemistry (Weinheim an der Bergstrasse, Germany)

Year:

2021

File:

PDF, 1.75 MB

2021

22

A theoretical study on CO2 insertion into an M(bond)H bond (M = Rh and Cu)

Shigeyoshi Sakaki, Yasuo Musashi

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 797 KB

english, 1996

23

Selective Formation and Efficient Photocurrent Generation of [70]Fullerene–Single-Walled Carbon Nanotube Composites

Tomokazu Umeyama, Noriyasu Tezuka, Shu Seki, Yoshihiro Matano, Masayuki Nishi, Kazuyuki Hirao, Heli Lehtivuori, Nikolai V. Tkachenko, Helge Lemmetyinen, Yoshihide Nakao, Shigeyoshi Sakaki, Hiroshi Ima

Journal:

Advanced Materials

Year:

2010

Language:

english

File:

PDF, 250 KB

english, 2010

24

Bidirectional Chemo-Switching of Spin State in a Microporous Framework

Masaaki Ohba, Ko Yoneda, Gloria Agustí, M. Carmen Muñoz, Ana B. Gaspar, José A. Real, Mikio Yamasaki, Hideo Ando, Yoshihide Nakao, Shigeyoshi Sakaki, Susumu Kitagawa

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 536 KB

english, 2009

25

Innentitelbild: Bidirectional Chemo-Switching of Spin State in a Microporous Framework (Angew. Chem. 26/2009)

Masaaki Ohba, Ko Yoneda, Gloria Agustí, M. Carmen Muñoz, Ana B. Gaspar, José A. Real, Mikio Yamasaki, Hideo Ando, Yoshihide Nakao, Shigeyoshi Sakaki, Susumu Kitagawa

Journal:

Angewandte Chemie

Year:

2009

Language:

german

File:

PDF, 540 KB

german, 2009

26

Bidirectional Chemo-Switching of Spin State in a Microporous Framework

Masaaki Ohba, Ko Yoneda, Gloria Agustí, M. Carmen Muñoz, Ana B. Gaspar, José A. Real, Mikio Yamasaki, Hideo Ando, Yoshihide Nakao, Shigeyoshi Sakaki, Susumu Kitagawa

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 536 KB

english, 2009

27

Inside Cover: Bidirectional Chemo-Switching of Spin State in a Microporous Framework (Angew. Chem. Int. Ed. 26/2009)

Masaaki Ohba, Ko Yoneda, Gloria Agustí, M. Carmen Muñoz, Ana B. Gaspar, José A. Real, Mikio Yamasaki, Hideo Ando, Yoshihide Nakao, Shigeyoshi Sakaki, Susumu Kitagawa

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 546 KB

english, 2009

28

Deep Blue Mixed-Valent PtIIIPtIIIPtII Complex [Pt3Br2(μ-pz)6] (pz=Pyrazolate) Showing Valence-Detrapping Behavior in Solution

Keisuke Umakoshi, Takashi Kojima, Yong Hun Kim, Masayoshi Onishi, Yoshihide Nakao, Shigeyoshi Sakaki

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 306 KB

english, 2006

29

Luminescent Heteropolynuclear Complexes of 3,5-Dimethylpyrazolate [Pt2Au2M2(Me2pz)8] (M=Ag, Cu) Showing the Synergistic Effect of Three Transition Elements in the Excited State

Keisuke Umakoshi, Keizo Saito, Yasuhiro Arikawa, Masayoshi Onishi, Shoji Ishizaka, Noboru Kitamura, Yoshihide Nakao, Shigeyoshi Sakaki

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 499 KB

english, 2009

30

ChemInform Abstract: Bonding Nature and Reaction Behavior of Inter-element Linkages with Transition Metal Complexes. A Theoretical Study.

Shigeyoshi Sakaki, Bishajit Biswas, Yasuo Musashi, Manabu Sugimoto

Journal:

Year:

2000

File:

PDF, 32 KB

2000

31

ChemInform Abstract: σ-Bond Activation by Transition Metal Complexes and Its Analogous Reactions. A Theoretical Study

Shigeyoshi Sakaki

Journal:

Year:

2001

File:

PDF, 27 KB

2001

32

Hydrogenation of Carbon Dioxide

Shigeyoshi Sakaki, Yasuo Musashi

Journal:

Year:

2003

File:

PDF, 66 KB

2003

33

ChemInform Abstract: Theoretical and Computational Studies of Organometallic Reactions: Successful or Not?

Shigeyoshi Sakaki, Yu-Ya Ohnishi, Hirofumi Sato

Journal:

Year:

2011

File:

PDF, 18 KB

2011

34

Letter from the Editors

Charles L. Brooks III, Gernot Frenking, Shigeyoshi Sakaki

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 27 KB

english, 2007

35

Two-step evaluation of binding energy and potential energy surface of van der Waals complexes

Milind M. Deshmukh, Shigeyoshi Sakaki

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.44 MB

english, 2012

36

Photoinduced electron transfer reaction between [Cu(dmp)P2]+or− (P=PPh3 or PPh2(m-C6H4SO3−) and viologen derivatives

Shigeyoshi Sakaki, Hiroki Mizutani, Yu-ichi Kase, Toru Arai, Taisuke Hamada

Journal:

Inorganica Chimica Acta

Year:

1994

Language:

english

File:

PDF, 805 KB

english, 1994

37

Chromatographic separation of geometrical isomers using highly oriented polymer-immobilized silica gels

Takanori Fukumoto, Hirotaka Ihara, Shigeyoshi Sakaki, Hideto Shosenji, Chuichi Hirayama

Journal:

Journal of Chromatography A

Year:

1994

Language:

english

File:

PDF, 369 KB

english, 1994

38

Catalytic dioxygen insertion and aromatic ring opening of 3,5-di-t-butyl-catechol by iron(II) complexes including nitrogen counter ligands

Katsutoshi Ohkubo, Kazumasa Miyata, Shigeyoshi Sakaki

Journal:

Journal of Molecular Catalysis

Year:

1982

Language:

english

File:

PDF, 249 KB

english, 1982

39

The micellar-promoted photoreduction of cobalt(III) tris-acetylacetonate by 1-benzyl-1,4-dihydronicotinamide

Katsutoshi Ohkubo, Kohichii Yamashita, Shigeyoshi Sakaki

Journal:

Journal of Molecular Catalysis

Year:

1983

Language:

english

File:

PDF, 214 KB

english, 1983

40

Iron(III)-catalyzed photo-hydroxylation of benzene in aqueous solution with and without ionic or neutral surfactants

Katsutoshi Ohkubo, Yoshiaki Arikawa, Shigeyoshi Sakaki

Journal:

Journal of Molecular Catalysis

Year:

1984

Language:

english

File:

PDF, 245 KB

english, 1984

41

Micellar-promoted hydrogenation of atropic acid and its esters catalyzed by K3[HCo(CN)5]

Katsutoshi Ohkubo, Tetsufumi Kawabe, Kohichi Yamashita, Shigeyoshi Sakaki

Journal:

Journal of Molecular Catalysis

Year:

1984

Language:

english

File:

PDF, 202 KB

english, 1984

42

The esterase activity of pentaammineruthenium(III) complexes which include catalytically active ligands of 1-Histidine derivatives for the stereoselective hydrolysis of enantiomeric amino acid esters

Katsutoshi Ohkubo, Yoshifumi Nakano, Shigeyoshi Sakaki

Journal:

Journal of Molecular Catalysis

Year:

1985

Language:

english

File:

PDF, 292 KB

english, 1985

43

Metalloporphyrin-catalyzed hydrogenation of α,β-unsaturated esters

Shigeyoshi Sakaki, Takahito Sagara, Toru Arai, Tatsuya Kojima, Tomohiko Ogata, Katsutoshi Ohkubo

Journal:

Journal of Molecular Catalysis

Year:

1992

Language:

english

File:

PDF, 300 KB

english, 1992

44

Solvation effect on resonance structure: Extracting valence bond-like character from molecular orbitals

Atsushi Ikeda, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 103 KB

english, 2006

45

An integral equation theory for 3D solvation structure: A new procedure free from 3D Fourier transform

Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 228 KB

english, 2006

46

A new population analysis: Dipole-moment-conserving charge-set

Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 163 KB

english, 2007

47

The barrier origin on the reaction of CO2 + OH− in aqueous solution

Kenji Iida, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

48

Reply to ‘Comment on ‘A new population analysis: Dipole-moment-conserving charge-set’ by H. Sato and S. Sakaki [Chem. Phys. Lett. 434 (2007) 165]’

Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 205 KB

english, 2008

49

Solvation effects in oxidative addition reaction of Methyliodide to Pt(II) complex: A theoretical study with RISM–SCF method

Seigo Hayaki, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 547 KB

english, 2008

50

An integral equation theory for structural fluctuation in molecular liquid

Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 463 KB

english, 2010

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