A survey of recent developments in ab initio valence bond theory

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 137-151

  Hiberty, Philippe C ^a   Shaik, Sason ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Bloc localized wave function; BOVB; Breathing orbitals; CASVB; Resonance energy; SCF MI; Spin coupled; Valence bond; VBCI; VBPCM; VBSCF

Indexed keywords

CHEMICAL BONDS; COMPUTATION THEORY; COMPUTER SOFTWARE; REACTION KINETICS; RESONANCE;

BREATHING ORBITALS; COMPUTATIONAL POWER; RESONANCE ENERGY; VALENCE BOND THEORY;

MOLECULAR DYNAMICS;

EID: 33846580979     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20478     Document Type: Article

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