Energy Barriers of Vinylidene Carbene Reactions from the Anti-Hermitian Contracted Schrödinger Equation

Journal of Physical Chemistry A

Volumn 114, Issue 1, 2010, Pages 583-588

  Greenman, Loren ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APRIORI; BASIS SETS; CARBENES; CCSD; COMPUTATIONAL STUDIES; CONTRACTED SCHRODINGER EQUATION; CORRELATION ENERGY; COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; DENSITY MATRIX; DINGER EQUATION; HERMITIANS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MULTI REFERENCE; REACTION BARRIERS; REFERENCE METHOD; SECOND ORDER PERTURBATION THEORY; TRANSITION STATE;

ACETYLENE; CHEMICAL BONDS; CORRELATION METHODS; LIGHTING; MOLECULAR ORBITALS; SCHRODINGER EQUATION;

PERTURBATION TECHNIQUES;

EID: 75249088819     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp907890d     Document Type: Article

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