The 103rd CSJ Annual Meeting

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Academic Program [Oral A]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral A

[K201-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Wed. Mar 22, 2023 11:20 AM - 11:40 AM K201 (K201, Lecture Hall Bldg. [2F])

Chair: Hirotoshi Mori, Masanori Tachikawa

11:30 AM - 11:40 AM

[K201-1am-02] Path integral molecular dynamics study of the intramolecular hydrogen bond structure in curcumin

○Hikaru Tanaka1, Hinata Yabushita1, Kazuaki Kuwahata2, Masanori Tachikawa2, Taro Udagawa1 (1. Gifu University, 2. Yokohama City University)

[Lang.] Japanese

Keywords:Nuclear Quantum Effect, Hydrogen Bond , Path Integral Molecular Dynamics