[A204-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-2am-03] Development of the structure-based Gaussian expansion method: Application to hydrogen tunneling in malonaldehyde

^○Kazuma Suzuki¹, Manabu Kanno¹, Hirohiko Kono¹ (1. Tohoku University)

[Lang.] Japanese

Keywords:quantum molecular dynamics, Gaussian basis, hydrogen transfer, malonaldehyde