Open AccessThe lowest doublet and quartet potential energy surfaces involved in the N(4S)+O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanism
Author(s) -
Miguel González,
Carolina Oliva,
R. Sayós
Publication year - 2002
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 - 10.1063/1.1484384
Subject(s) - ab initio , chemistry , complete active space , potential energy surface , wave function , perturbation theory (quantum mechanics) , potential energy , basis set , ab initio quantum chemistry methods , configuration interaction , atomic physics , density functional theory , energy profile , computational chemistry , molecular physics , physics , excited state , energy (signal processing) , molecule , quantum mechanics , organic chemistry
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