Generalized population analysis of three-center two-electron bonding

International Journal of Quantum Chemistry

Volumn 97, Issue 6, 2004, Pages 1002-1011

  Ponec, Robert ^a   Cooper, David L ^b  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b UNIVERSITY OF LIVERPOOL   (United Kingdom)

Author keywords

Density matrix; Generalized populations; Multicenter bonding; Spin coupled; Valence bond

Indexed keywords

CHEMICAL BONDS; DENSITY (SPECIFIC GRAVITY); ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS;

CORRELATED DENSITY MATRICES; HARTREE-FOCK VALUES; MULTICENTER BONDING; VALENCE BOND;

QUANTUM THEORY;

EID: 1842558780     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20007     Document Type: Article

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