Gas phase isomerization enthalpies of organic compounds: A semiempirical, density functional theory, and ab initio post-Hartree-Fock theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 948, Issue 1-3, 2010, Pages 102-107

  Rayne, Sierra ^a   Forest, Kaya ^b  

^a Ecologica Research   (Canada)

^b OKANAGAN UNIVERSITY COLLEGE   (Canada)

Author keywords

Ab initio post Hartree Fock; Density functional theory; Hydrocarbons; Isomerization enthalpies; Semiempirical

Indexed keywords

EID: 77950368788     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.02.030     Document Type: Article

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