Trimethylenemethane. Comparison of multiconfiguration self-consistent field and density functional methods for a non-kekulé hydrocarbon

Journal of Physical Chemistry

Volumn 100, Issue 23, 1996, Pages 9664-9670

  Cramer, Christopher J ^a   Smith, Bradley A ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; MATHEMATICAL TECHNIQUES; MOLECULAR DYNAMICS;

DENSITY FUNCTIONAL CALCULATIONS; METHYLENECYCLOPROPANES; MULTICONFIGURATIONAL METHODS; NON-KEKULE HYDROCARBONS; NONDYNAMIC CORRELATION EFFECTS; RELATIVE ENERGY; SELF CONSISTENT FIELD CALCULATIONS; TRIMETHYLENEMETHANE;

HYDROCARBONS;

EID: 0030572358     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953697x     Document Type: Article

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