The 103rd CSJ Annual Meeting

Presentation information

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

2:30 PM - 2:40 PM

[K202-4pm-09] Improvement of GLobal Area Search (GLAS) algorithm and Application of GLAS approach to peptide system

Takechika Kikkawa1, Syusuke Yamanaka1, Mitsuo Shoji2, Mitsutaka Okumura1 (1. Osaka Univesity, 2. University of Tsukuba)

[Lang.] Japanese

Keywords:exploration of chemical reaction pathways, quantum chemical calculation, isomerization reaction