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Shigekí Kato | doi.page

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Shigekí Kato

RIKEN BioResource Research Center(JP)Nagoya University(JP)

Publications by Year

Research Areas

Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Particle accelerators and beam dynamics, Photochemistry and Electron Transfer Studies, Particle Accelerators and Free-Electron Lasers

Most-Cited Works

→ Constituent analysis of the potential gradient along a reaction coordinate. Method and an application to methane + tritium reaction(1975)316 cited
→ Reference interaction site model self-consistent field study for solvation effect on carbonyl compounds in aqueous solution(1994)312 cited
→ Analytical energy gradient for the reference interaction site model multiconfigurational self-consistent-field method: Application to 1,2-difluoroethylene in aqueous solution(1996)251 cited
→ Achievements of KEKB(2013)245 cited
→ A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations(1993)237 cited
→ Molecular orbital calculations of the electronic structure of borazane(1974)200 cited

→ Energy gradient in a multi-configurational SCF formalism and its application to geometry optimization of trimethylene diradicals(1979)

156 cited

→ Ab Initio Molecular Orbital Theory on Intramolecular Charge Polarization: Effect of Hydrogen Abstraction on the Charge Sensitivity of Aromatic and Nonaromatic Species(1997)156 cited

→ Potential energy characteristics and energy partitioning in chemical reactions: A b i n i t i o MO study of four-centered elimination reaction CH3CH2F→CH2=CH2+HF(1980)155 cited

→ Theoretical Perspectives on the Reaction Mechanism of Serine Proteases: The Reaction Free Energy Profiles of the Acylation Process(2003)151 cited