Open AccessRate coefficients and kinetic isotope effects of Cl+XCl→XCl+Cl (X=H, D, Mu) reactions from ring polymer molecular dynamics
Author(s) -
junhua fang,
Wenhui Fan,
Hui Yang,
Jianing Song,
Yongle Li
Publication year - 2021
Publication title -
chinese journal of chemical physics/chinese journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.333
H-Index - 24
eISSN - 2327-2244
pISSN - 1674-0068
DOI - 10.1063/1674-0068/cjcp2007117
Subject(s) - chemistry , kinetic energy , kinetic isotope effect , observable , molecular dynamics , potential energy surface , thermodynamics , softening , quantum , potential energy , reaction dynamics , computational chemistry , atomic physics , molecule , physics , quantum mechanics , organic chemistry , deuterium