ISHIMOTO Takayoshi | Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and
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概要
- 同名の論文著者
- Research Institute for Computational Sciences, National Institute of Advanced Industrial Science andの論文著者
関連著者
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ISHIMOTO Takayoshi
Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and
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Ishimoto Takayoshi
Research Institute For Computational Science National Institute Of Advanced Industrial Science And T
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TAMURA Katsuhiro
Department of Chemistry, University of Tsukuba
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WATANABE Toshio
Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and
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NAGASHIMA Umpei
Department of Chemistry, University of Tsukuba
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Tamura Katsuhiro
Department Of Chemistry University Of Tsukuba
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Nagashima Umpei
Department Of Chemistry University Of Tsukuba
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Tamura Katsuhiro
Department Of Chemistry Tsukuba University
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Watanabe Toshio
Research Institute For Computational Sciences National Institute Of Advanced Industrial Science And
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Tamura Katsuhiro
Department Of Chemical Science And Technology
著作論文
- Geometrical and Kinetic Isotope Effects on R-H(D)…R Type Intramolecular Hydrogen Bonds (R = CH_2, NH, and O) Using a Multi-Component Molecular Orbital Method
- FMO-MO Method as an Initial Guess Generation for SCF Calculation : Case of (-)-Epicatechin Gallate
- Ab Initio MO-MD Simulation Based on the Fragment MO Method : A Case of (-)-Epicatechin Gallate with STO-3G Basis Set
- Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method : A Case of a Surface for Ring Rotation of (-)-Epicatechin Gallate Using the STO-3G Basis Set
- Molecular Structure Optimization and Molecular Dynamics Using Hamiltonian Algorithm : Structure of Benzodiazepine Minor Tranquilizers : Towards Non-Empirical Drug Design