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

5:40 PM - 5:50 PM

[1E2-53] Theoretical analysis of isotropic nuclear magnetic shielding constant on hydrogen considering quantum fluctuation

01.Oral A

○WATANABE, Yoshiaki; KITA, Yukiumi; TACHIKAWA, Masanori (Grad. Sch. Nanobiosci., Yokohama City Univ.)

PC Setting Time : 17:30 - 17:40

Keywords:Isotropic nuclear magnetic shielding constant、quantum Monte Carlo、quantum fluctuation、H/D isotropic shift