Conference (2008)
Invited Lecture
“Catalyses of Transition Metal Complexes. Well Understanding, Essence, and Prediction from Detailed Computational Results”
S. Sakaki, ICC14 Pre-Symposium, 50th Aniversary of the Catalysis Society of Japan, Kyoto, Japan, July 8-12.
“Geometry and Bonding Nature of Transition Metal Complexes: Theoretical Study with Frontier-Orbital-Consistent Effective Potentials (FOC-EP)
S. Sakaki, The 8th WATOC2008 (World Association of Theoretical and Computational Chemists, Sydney, Australia, Sept. 14-19, 2008.
"Bonding Nature and Reaction Behavior of Transition Metal Complexes: Theoretical Study with Post-Hartree-Fock method"
S. Sakaki, IN-MN004, Theory and Applications of Computational Chemistry 2008, Shanghai, Sept, 22-27, 2008.
Oral and/or Poster Presentation
1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
Jun. 3-7, 2008, Tokyo(Japan)
IL-CC12: Theoretical Approaches for Chemical Processes: Chemical Reactions and Solvation
○H. Sato, D. Yokogawa, K. Kido, K. Iida, S. Hayaki, S. Sakaki
3P-CC09: Theoretical study of emissive dinuclear platinum(II) complexes: Interesting relation between symmetry and intersystem crossing
○K. Saito, Y. Nakao, S. Sakaki
3P-CC10: Electronic Structures and Spin Transition Mechanism of a LIESST Complex, [FeII(2-pic)3]2+
○H. Ando, Y. Nakao, H. Sato, S. Sakaki
Pre-Symposium of 14th International Congress on Catalysis (ICC 14 Pre-Symposium)
July 8-12, 2008, Kyoto(Japan)
CO Adsorption on Pd(111) Surface: Theoretical Study with One-electron Effective Potantials, T. Ise, Y. Nakao, H. Sato, and S. Sakaki (P1041)
Theoretical Study of Amine Adsorption to ZSM-5
F. Matsubara, Y. Nakao, H. Sato, S. Sakaki, (P2033)
WATOC 2008
Sep. 14-19, 2008, Sydney(Australia)
PP237: Theoretical Study of the Dioxygen Activation Mechanism in Iron(III) Catechol Dioxygenase: "Oxygen Activation" vs."Substrate Activation"
○N. Nakatani, Y. Nakao, H. Sato, S. Sakaki
PP356: A Chemically Reasonable Model of Various Phosphine Ligands: Application of CCSD(T) Calculation to Large Transition Metal Complexes
○Y. Ohnishi, M. Nakaoka, Y. Nakao, H. Sato, S. Sakaki
PP411: Spin Transition Mechanism and New Necessary Condition of LIESST: DFT Study of [Fe(2-pic)3]2+
○H. Ando, Y. Nakao, H. Sato, S. Sakaki
PP413: Tungsten η3-Silaallyl/Vinylsilyl, η3-Silapropargyl/Alkynylsilyl, and Silylene Complexes: New Insight of their Bonding Nature and Electronic Structure
○M. Ray, Y. Nakao, H. Sato, S. Sakaki
PP421: Oxygen Atom Transfer Reactions of Iridium and Osmium Complexes: Theoretical Study of Significantly Large Differences between these Two Complexes
○A. Ishikawa, Y. Nakao, H. Sato, S. Sakaki
PP425:Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex. Theoretical Study
○N. Ochi, H. Sato, Y. Nakao, S. Sakaki
PP434: The Bonding Nature of Dinuclear Cr(II) Complexes. A Theoretical Study with the MRMP2 Method
○Y. Kurokawa, Y. Nakao, S. Sakaki
PP439: Theoretical Study of Multi-Nuclear Complexes, [Pt2X4(Me2pz)8] (X=Ag, Cu, H): Metallophilic LUMO Participation in Strong Luminescence
○Y. Nakao, S. Sakaki
PP517: Phosphorescence Spectra and Spin-Orbit Interaction of Platinum(II) Dinuclear Complexes
○K. Saito, Y. Nakao, S. Sakaki