[P1-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P1-1am-36] Creating a prediction model for activation barriers for cycloreversion of diarylethenes by using machine learning

○Kousei Yamanaka¹, Staykov Aleksandar¹ (1. The Univ. of Kyushu)

Keywords:

diarylethene,electrochemical switching,frontier orbital,machine learning