Open AccessMulticonfigurational electronic wavefunctions in the full optimized reaction space: the isomerization of nitrosyl hydride to nitrogen hydroxide in the lowest singlet and triplet states
Author(s) -
Marry Gilbert Dombek
Publication year - 1977
Language(s) - English
Resource type - Reports
DOI - 10.2172/5241893
Subject(s) - isomerization , chemistry , singlet state , wave function , atomic orbital , hydride , complete active space , computational chemistry , metastability , molecular orbital , atomic physics , molecule , hydrogen , excited state , quantum mechanics , physics , organic chemistry , catalysis , biochemistry , electron
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