The 100th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Mon. Mar 23, 2020 1:10 PM - 2:40 PM E2 (K402, Lecture Hall Bldg. [4F])

2E2-26 OKUMURA, Mitutaka
2E2-30～2E2-33 KISHI, Ryohei

2:00 PM - 2:20 PM

[2E2-31] Quantum Chemical Exploration of Isomers and Reaction Channels of Amino Acide Molecules

Oral B

○OHNO, Koichi; KISHIMOTO, Naoki; SATOH, Hiroko; IWAMOTO, Takeaki (Grad. Sch. Sci., Tohoku Univ.)

PC Setting Time: 13:40-13:50

Keywords:isomer, reaction path, automated exploration, ab initio calculation

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