[H937-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

1:10 PM - 1:20 PM JST(4:10 AM - 4:20 AM UTC)Japanese

[H937-3pm-02] Theoretical study on solvatochromism in tetracyanoquinodimethane(TCNQ)

○Sumire Tobe¹, Mikako Higa², Hirofumi Sato^3,4, Masahiro Higashi⁵ (1. Faculty of Engineering, Kyoto University, 2. Graduate School of Engineering and Science University of the Ryukyus, 3. Guraduate School of Engineering, Kyoto University , 4. Fukui Institute for Fundamental Chemistry, Kyoto University, 5. Guraduate School of Informatics, Nagoya University)

Keywords:

Tetracyanoquinodimethane (TCNQ),QM/MM method,excitation energy,solvatochromism