[P1-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P1-1am-28] Beyond-Born-Oppenheimer analysis of chemical reactions exhibiting secondary kinetic isotope effects: nucleophile dependence of S_N2 reactions

○Kohei Motoki¹, Hirotoshi Mori¹ (1. The Univ. of Chuo)

Keywords:

Nuclear-Electronic Orbital,Deuterium,Chemical Reactions,Kinetic Isotope Effect,Density Functional Theory