Shiro Koseki
6PUBLICATIONS
6CO-AUTHORS
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Publications (6)
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|May 02, 2023
A Structure-Based Gaussian Expansion for Quantum Reaction Dynamics in Molecules: Application to Hydrogen Tunneling in Malonaldehyde.Kazuma Suzuki, Manabu Kanno, Shiro Koseki
|Dec 14, 2021
Theoretical Design of Blue-Color Phosphorescent Complexes for Organic Light-Emitting Diodes: Emission Intensities and Nonradiative Transition Rate Constants in Ir(ppy)2(acac) Derivatives.Shiro Koseki, Masaki Yoshii, Toshio Asada
|Sep 05, 2020
Exploring the Reaction Paths on the Potential Energy Surfaces of the S1 and T1 States in Methylenecyclopropane.Shiro Koseki, Mamoru Haruta, Nozomi Sawada
|Mar 01, 2019
Spin-Orbit Coupling Constants in Atoms and Ions of Transition Elements: Comparison of Effective Core Potentials, Model Core Potentials, and All-Electron Methods.Shiro Koseki, Nikita Matsunaga, Toshio Asada
|Mar 03, 2017
Multiconfiguration Self-Consistent Field Study on Formonitrile Imine and N-Substituted Nitrile Imines HCN2-R: Energy Component Analysis of the Pseudo-Jahn-Teller Effect.Azumao Toyota, Takashi Muramatsu, Shiro Koseki
|Dec 15, 2016
Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated Molecules.Shiro Koseki, Azumao Toyota, Takashi Muramatsu
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