2018 The Chemical Society of Japan

Presentation information

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