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

1:20 PM - 1:30 PM

[K202-4pm-03] Stability analysis of structural isomers of thiocarboxylic acid and thiophosphoric acid utilizing resonance structure

○Naoki Takemoto1, Kaho Nakatani2, Hirohumi Sato2,3, Masahiro Higashi2 (1. Faculity of Engineering, Kyoto University, 2. Graduate School of Engineering, Kyoto University, 3. Fukui Institute for Fundamental Chemistry)

[Lang.] Japanese

Keywords:Quantum Chemical Calculations, Structural Isomers, Resonance Structure