Open AccessCommunication: Some critical features of the potential energy surface for the Cl + H2O → HCl + OH forward and reverse reactions
Author(s) -
Yundong Guo,
Meiling Zhang,
Yaoming Xie,
Henry F. Schaefer
Publication year - 2013
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4816278
Subject(s) - endothermic process , chemistry , valence (chemistry) , potential energy surface , transition state , zero point energy , computational chemistry , ab initio , catalysis , physics , organic chemistry , adsorption , quantum mechanics
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