Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1E2-35] Systematic exploration of conical intersections based on time dependent density functional theory: Application to photoreactions

02.Oral B

○HARABUCHI, Yu; MAEDA, Satoshi (Fac. Sci., Hokkaido Univ.; PRESTO, JST)

PC Setting Time : 14:10 - 14:20

Keywords:artificial force induced reaction method、conical intersection、TDDFT、automated reaction path search