和歌山大学 · システム工学部

研究关键词charge transfer complexes・crystal structure prediction・GRRM reaction path search・oxygen adsorption on iron porphyrin・organic crystal packing・esterification reaction analysis・ferrocene structure analysis・TCNQ derivatives

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• Search for Crystal Structure Candidates by Applying the Generalized Scaled Hypersphere Search Method to Volume of Unit Cell Containing Quasi Rigid Body Approximated Atoms and Molecules2021 · Yuuki Midoro, Takuto Oki, Yoshitomo Kodaya, Hideo Yamakado (担当区分： 責任著者 )
• Conformation Search of Glycine by Applying the Scaled Hypersphere Search Method to Discrete Atoms in the Molecule2020 · Hideo Yamakado (担当区分： 責任著者 )
• Quantum Chemical Exploration of Intermolecular Reactions of Acetylene2020 · Ohno, K., Oki, T., Yamakado, H.
• Searching the crystal structure of silicon using the generalized scaled hypersphere search method with the rapid nuclear motion approximation2020 · Yuuki Midoro, Yoshitomo Kodaya, Hideo Yamakado, Koichi Ohno (担当区分： 責任著者 )

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