2018 The Chemical Society of Japan

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Tue. Mar 20, 2018 1:20 PM - 6:30 PM E2 (1012, Bldg. 10)

1E2-27～1E2-31　YOKOGAWA, Daisuke
1E2-33～1E2-38　TAKANO, Yu
1E2-40～1E2-44　TACHIKAWA, Masanori
1E2-47～1E2-51　OKUMURA, Mitutaka
1E2-53～1E2-57　HARABUCHI, Yu

PM

5:50 PM - 6:00 PM

[1E2-54] Analysis of a proton transfer reaction using the DFTB-RPMD method

01.Oral A

○KOSUGI, Kento; NAKANO, Hiroshi; SATO, Hirofumi (Grad. Sch. Eng., Kyoto Univ.)

PC Setting Time : 17:30 - 17:40

Keywords:DFTB、proton transfer reaction、RPMD method、nuclear quantum effect