Complete active space valence bond (CASVB) method and its application to chemical reactions

Theoretical and Computational Chemistry

Volumn 10, Issue , 2002, Pages 55-77

  Nakano, Haruyuki ^a   Sorakubo, Kazushi ^a   Nakayama, Kenichi ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; BROMINE; CARBON; CHLORINE; FLUORINE; FORMALDEHYDE; HYDROGEN; IODINE;

ACCELERATION; ATOM; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLETE ACTIVE SPACE VALENCE BOND METHOD; COVALENT BOND; DISSOCIATION; ENERGY; HYDROGEN BOND; MATHEMATICAL ANALYSIS; METHODOLOGY; QUANTITATIVE ANALYSIS; REACTION ANALYSIS; REVIEW; SPACE; STRUCTURE ANALYSIS; THERMODYNAMICS;

EID: 0036921810     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Review

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