Conference (2007)
Invited Lecture
Theoretical Study of Transition metal Complexes. DFT vs Post Hartree-Fock Methods
S. Sakaki, M. S. Gordon-65 Conference, Maui Prince Hotel, Hawai Jan. 15-19, 2007.
Theoretical Study of Transition Metal Complexes. Comparison between DFT and Post Hartree-Fock Methods,
S. Sakaki, Workshop: Correlation issues in electronic structure calculations 2007, 2/15-16, Sapporo (Hokkaido Univ.).
Theoretical Study of Sigma-Bond Activation and Catalytic Reactions by Transition Metal Complexes: From Detailed Computational Results to Essence
Shigeyoshi Sakaki, Xin-Da Lecture at Peking University, Sept. 21, 2007.
Oral and/or Poster Presentation
Workshop for "Water and Bomolecules"
Nara-shi, Nara, Jan. 24-25, 2008
P105: Theoretical treatment on structural fluctuation
○D. Yokogawa, H. Sato, S. Sakaki
P106: Effective interaction energy of water dimer at room temperature
T. Amano, ○H. Sato, S. Sakaki
The 3rd Asian Pacific Conference on Theoretical & Computational Chemistry (APCTCC)
Sep. 22-26, 2007, Beijing
Theoretical study of transition metal complexes by CCSD(T) method with lone-pair adjusted effective potential
○Y. Ohnishi
PI-34: Theoretical study of multi-nuclear complexes, [Pt2X4(Me2pz)8] (X=Ag, Cu, H): Metallophilic LUMO participation in strong luminescence
○Y. Nakao, S. Sakaki
International Conference of Computational Methods in Sciences and Engineering
Sep. 25-30, 2007, Corfu(Greece)
Chemical Events in Solution Phase: The view from Molecular Level Descriptions
○Hirofumi Sato
Molecular Science and Chemical Biology of Biomolecular Function
Okazaki, Nov. 10-12, 2007.
P38: Highly parallelized calculation of three dimensional solvation structure around protein
○Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki, and Takashi Imai
P42: Theoretical study of the dioxygen activation mechanism in Fe(III) catechol dioxygenase: "Substrate Activation" vs. "Oxygen Activation"
○Naoki Nakatani, Yoshihede Nakao, Hirofumi Sato, Shigeyoshi Sakaki
Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
Nov. 21-25, 2007, Fukuoka University(Fukuoka)
Y05: Three-dimensional Solvation Structure around Protein: Theoretical Approach Based on Reference Interaction Site Model
○Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
G03T: The Nature of Chemical Bond in Solvated Systems: An Analysis Based on the New Resonance Theory
○Atsushi Ikeda, Hirofumi Sato, Shigeyoshi Sakaki
P007: Theoretical Study for Solvation Effects on Oxidative Addition Reaction of Pt(II) Complex: Application of RISM-SCF
○Seigo Hayaki, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
P010: The Barrier Origin on the Reaction of CO2 +OH- in Aqueous Solution
○Kenji Iida, Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
P025: Theoretical Analysis of pH Effect with Multi-component Reference Interaction Site Model: Application to Glycine in HCl Aqueous Solution
○Kentaro Kido, Hirofumi Sato, Shigeyoshi Sakaki
P048: Recent Development of Theoretical Methods for Solvated Molecules
○Hirofumi Sato, Atsushi Ikeda, Daisuke Yokogawa, Shigeyoshi Sakaki
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
Dec. 7-9, 2007, Kyoto University(Kyoto)
Chemical Reaction in Solution Phase: A combined method of ab initio MO and integral equation theory for liquids
○H. Sato
14: Theoretical study of multi-nuclear complexes, [Pt2X4(Me2pz)8] (X=Ag, Cu, H): Metallophilic LUMO participation in strong luminescence
○Y. Nakao, S. Sakaki
20: The Nature of Chemical Bond of Solvated Molecules: An Analysis based on the New Resonance Theory
○A. Ikeda, H. Sato, S. Sakaki
21: Frontier Orbital Consistent Quantum Capping potential Method for Large Transition Metal Complex
○Y. Ohnishi, Y. Nakao, H. Sato, S. Sakaki
22: Electronic Structure and Reaction of New Palladium(II) Phosphorus-containing Hybrid Calixphyrin Complex. Theoretical Study
○N. Ochi, Y. Nakao, H. Sato, Y. Matano, H. Imahori, S. Sakaki
23: New generation of the reference interaction site model self-consistent field method
○D. Yokogawa, H. Sato, S. Sakaki
24: Theoretical study of phosphorescence spectra of pyarazolate-bridged and pyridinethiolate-bridged dinuclear platnum(II) complexes
○K. Saito, Y. Nakao, S. Sakaki