The 100th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 22, 2020 1:40 PM - 6:00 PM E2 (K402, Lecture Hall Bldg. [4F])

1E2-29～1E2-33 NAKAI, Hiromi
1E2-36～1E2-40 TAKAHASHI, Satoshi
1E2-42～1E2-46 KISHIMOTO, Naoki
1E2-49～1E2-53 SHIGETA, Yasuteru

2:20 PM - 2:40 PM

[1E2-33] A systematic exploration of minimum energy conical intersections using a semi-empirical Hamiltonian method: Toward a theoretical screening of fluorescent molecules

Oral B

○HARABUCHI, Yu; THIEL, Walter; MAEDA, Satoshi (Fac. Sci., Hokkaido Univ.; WPI-ICReDD; PRESTO, JST; Max Planck Institute for Coal Research; NIMS)

PC Setting Time: 13:30-13:40

Keywords:artificial force induced reaction method, conical intersection, semi-empirical Hamiltonian method, automated reaction path search

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