[[C]C302-4am2] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

10:40 AM - 11:00 AM JST(1:40 AM - 2:00 AM UTC)Japanese

[[C]C302-4am2-03] Nonadiabatic ab initio chemical reaction dynamics on photoisomerization reaction of 3,5-dimethylisoxazole via the S₁ electronic state

○Mizuki Kimura¹, Shinkoh Nanbu¹ (1. Sophia University)

Keywords:

nonadiabatic transition,1,2-methyl shift,chemical reaction dynamics,ab initio MD simulation,photoisomerization