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

1:40 PM - 1:50 PM JST(4:40 AM - 4:50 AM UTC)Japanese

[H937-3pm-05] Extension of Global Area Search (GLAS) method to reactions with spin-state crossing and Application to small organic molecules

○Takechika Kikkawa¹, Syusuke Yamanaka¹, Takashi Kawakami¹, Mitsutaka Okumura¹, Mitsuo Shoji² (1. Osaka University, 2. University of Tsukuba)

Keywords:

Automated Exploration of Chemical Reaction Pathway,Quantum Chemical Calculation