Extrapolating potential energy surfaces by scaling electron correlation: Isomerization of bicyclobutane to butadiene

Journal of Chemical Physics

Volumn 128, Issue 15, 2008, Pages

  Lutz, Jesse J ^a   Piecuch, Piotr ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; ELECTRON CORRELATIONS; EXCITED STATES; ISOMERIZATION; POTENTIAL ENERGY; SURFACES;

BICYCLOBUTANE; CORRELATION ENERGIES; COUPLED-CLUSTER METHOD;

BUTANE;

EID: 42449143978     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2904560     Document Type: Article

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