Open AccessA study of the energetics of the Cl2/MgO(001) interface using correlation corrected periodic Hartree–Fock theory
Author(s) -
Maureen I. McCarthy,
Anthony C. Hess,
N. M. Harrison,
V. R. Saunders
Publication year - 1993
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 - 10.1063/1.464835
Subject(s) - chemistry , molecule , binding energy , physisorption , density functional theory , surface (topology) , energetics , molecular physics , atomic physics , intramolecular force , ab initio , computational chemistry , thermodynamics , physics , geometry , adsorption , mathematics , organic chemistry , stereochemistry
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