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-09] Electronic structure informatics for predicting spin-orbit coupling (2): Application to medium-scale complexes

Yuika Takahashi1, Nahoko Kuroki1,2, Hirotoshi Mori1 (1. Chuo University, 2. JCT ACT-X)

[Lang.] Japanese

Keywords:Spin-Orbit Coupling, Transition metal complexes, Excited states, Machine Learning, El-Sayed rule