Ab initio coupled cluster determination of the equilibrium structures of cis - And trans -1,2-difluoroethylene and 1,1-difluoroethylene

Journal of Physical Chemistry A

Volumn 115, Issue 1, 2011, Pages 94-98

  Feller, David ^a   Craig, Norman C ^b   Groner, Peter ^c   McKean, Donald C ^d  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b OBERLIN COLLEGE   (United States)

^c UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^d UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; ETHYLENE;

AB INITIO; BASIS SETS; COUPLED CLUSTER TECHNIQUES; COUPLED CLUSTERS; EQUILIBRIUM STRUCTURES; HIGHER ORDER CORRELATION;

NUMERICAL METHODS;

EID: 78651245143     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp109584k     Document Type: Article

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