Conference (2009)
Invited Lecture
CCSD(T) Study of Large Transition Metal Complexes with Frontier-Orbital-Consistent Effective Potentials
S. Sakaki, International Symposium on Theory of Molecular Structure, Funciton and Reactivity, July, 2009, Kyoto, Japan
Theoretical Study of Transition Metal Complexes: DFT vs. Post-Hartree-Fock Method.
Shigeyoshi Sakaki, The 3rd Japan-Checz-Slovakia Joint Symposium for Theoretical/Computational Chemistry, Blarislava, Slovakia, Sept., 9-11, 2009
Theoretical Study of Cross-Coupling Reaction. The Reason Why Fluoride Anion Accelerates the Transmetallation
Shigeyoshi Sakaki, The 14th Japan-Korea Joint Symposium on Organometallic and Coordination Chemistry, Nagoya, Oct, 8-10, 2009.
Proposal of Frontier-Orbital-Consistent Effective Potential (FOC-EP) and Its Application to Post Hartree-Fock Calculations of Large Transition Metal Complexes
Y. –I. Kurokawa, Y. Nakao, S. Sakaki, Asian-Pacific Association of Theoretical and Computational Chemistry (ATATCC-IV), Dec., 21-23, 2009 invited, Port Dickson, Malaysia
Oral and/or Poster Presentation
COIL-3 Pre-Symposium Science of Ionic Liquids
May 29-30, 2009, Cairns(Australia)
033: A RISM Approarch to Chemical Reactions and the Liquid Structure of RTILs
○S. Hayaki, K. Kido, D. Yokogawa, H. Sato, S. Sakaki
3rd Congress on Ionic Liquids
May 31-Jun 4, 2009, Cairns(Australia)
P388: A Theoretical Analysis of a Diels-Alder Reaction in Ionic Liquids with RISM-SCF-SEDD Method
○S. Hayaki, K. Kido, D. Yokogawa, H. Sato, S. Sakaki
The XIIIth International Congress of Quantum Chemistry(13th ICQC)
Jun. 22-27, 2009, Helsinki(Finland)
A003: Guest-Induced Spin Transition in a Microporous Coordination Polymer, {FeII(pz)[PtII(CN)4]}
○H. Ando, Y. Nakao, H. Sato, K. Yoneda, M. Ohba, S. Kitagawa, A. B. Gaspar, J. A. Real, S. Sakaki
C051: CASSCF Study of Luminescence Property of Copper (I)-Halide Complex with Phosphine and N-Heteroaromatic Ligands
○A. Ishikawa, Y. Nakao, H. Sato, S. Sakaki
C115: Theoretical study of highly emissive iridium complexes
○K. Saito, Y. Nakao, and S. Sakaki
International Symposium on Theory of Molecular Structure, Function and Reactivity, Celebrating Prof. Morokuma’s 75th Birthday
July 19-21, 2009, Kyoto(Japan)
CCSD(T) Study of Large Transition Metal Complexes with Frontier-Orbital-Consistent Effective Potentials
○S. Sakaki
Asian-Pacific Association of Theoretical and Computational Chemistry (ATATCC-IV)
Dec., 21-23, 2009, Port Dickson, Malaysia
MRMP2 and DFT Study of Inverted Sandwich Type Dinuclear Transition Metal Complexes: Surprisingly High Spin Multiplicity in the Mn Analogue
○Y. –I. Kurokawa, Y. Nakao, S. Sakaki, SO13