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

3:50 PM - 4:10 PM

[1E2-42] Intuitive pictures of dynamical reaction processes based on the static reaction path

Oral B

○TSUTSUMI, Takuro; ONO, Yuriko; ARAI, Zin; TAKETSUGU, Tetsuya (Grad. Sch. Chem. Sci. and Eng., Hokkaido Univ.)

PC Setting Time: 15:40-15:50

Keywords:On-the-fly molecular dynamics, Dynamical reaction route, Intrinsic reaction coordinate, Dimensionality reduction, Visualization

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