The 103rd CSJ Annual Meeting

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Academic Program [Oral A]

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

[K202-4pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 25, 2023 1:00 PM - 3:40 PM K202 (K202, Lecture Hall Bldg. [2F])

Chair: Masahiro Higashi, Noricumi Yamamoto

1:00 PM - 1:10 PM

[K202-4pm-01] Homologous element effects in muoniated xanthenethione using path integral molecular dynamics

○Kazuaki Kuwahata1, Shigekazu Ito2, Masanori Tachikawa1 (1. Yokohama City University, 2. Tokyo Institute of Technology)

[Lang.] Japanese

Keywords:Muon, hyperfine coupling constant, quantum effect, path integral molecular dynamics