[A1456-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

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

[A1456-2am-04] Theoretical study of nonradiative deactivation process for indigo and its derivatives using nonadiabatic molecular dynamics simulation

○Rena Komoriya¹, Yoshifumi Nishimura², Takeshi Yoshikawa^2,3, Shohei Yamazaki^4,5, Hiromi Nakai^1,2 (1. School of Advanced Science and Engineering, Waseda University, 2. Waseda Research Institute for Science and Engineering, Waseda University, 3. Faculty of Pharmaceutical Science, Toho University, 4. Graduate School of Science and Technology, Hirosaki University, 5. Faculty of Science and Technology, Hirosaki University)

Keywords:

Excited State,Conical Intersection,Proton Transfer,Nonradiative Deactivation,Nonadiabatic Molecular Dynamics Calculation