The 103rd CSJ Annual Meeting

Presentation information

Academic Program [Poster]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Poster

[P1-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 23, 2023 9:40 AM - 11:10 AM Poster Site (Morito Memorial Gymnasium)

[P1-2am-15] Description of σ-hole bonding interactions in Density-Functional Tight-Binding Methods

Nichika Ozawa1, Nahoko Kuroki1,2, Hirotoshi Mori1 (1. Chuo University, 2. JST ACT-X)

[Lang.] Japanese

Keywords:Halogen bonding interactions, σ-hole bonding interactions, Density-Functional Tight-Binding methods