The 101st CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

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

[A26-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 21, 2021 1:00 PM - 2:30 PM Room 26 (Online Meeting)

Chair:Hirofumi Sato, Manabu Sugimoto

1:20 PM - 1:30 PM

[A26-3pm-03] Computational analysis of intermolecular interactions in molecular crystals with structural phase transitions

Daisuke TAKAGI1, Takuya TANIGUCHI1, Toru ASAHI1 (1. Waseda University)

[Lang.] Japanese

Keywords:Structural phase transition, Intermolecular interaction, Temperature dependence, Hirshfeld surface, Fingerprint plots