Energy barriers in the conversion of bicyclobutane to gauche-1,3-butadiene from the anti-Hermitian contracted Schrödinger equation

Journal of Physical Chemistry A

Volumn 112, Issue 51, 2008, Pages 13684-13690

  Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION ENERGIES; DENSITY MATRIXES; DINGER EQUATIONS; DIRECT CALCULATIONS; ELECTRON SYSTEMS; ELECTRON WAVE FUNCTIONS; EXPERIMENTAL VALUES; GENERAL APPROACHES; HERMITIAN; MULTIREFERENCE METHODS; STATE ENERGIES;

BUTADIENE; ELECTRONS; ENERGY BARRIERS; FUNCTIONS; POSITION CONTROL;

CORRELATION METHODS;

EID: 58149145453     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp807978a     Document Type: Article

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