Presentation Information

[B1-O201-07]Theoretical study on proton transfer with quantum nuclear effect

*Tomomi Shimazaki1, Makito Takagi1, Kenichiro Saita1, Masayuki Kimura2 (1. Yokohama City Univ. (Japan), 2. Toyota Motor Corp. (Japan))

Keywords:

proton transfer,quantum nuclear effect,density functional theory (DFT),Multi_Component DFT (MC_DFT) method