A valence bond study of the dioxygen molecule

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 185-197

  Peifeng, S U ^a   Song, Lingchun ^a   Wu, Wei ^a   Hiberty, Philippe C ^b   Shaik, Sason ^c  

^a XIAMEN UNIVERSITY   (China)

^b UNIVERSITÉ PARIS SUD   (France)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

BOVB; Oxygen molecule; Valence bond theory; VBCI; VBSCF

Indexed keywords

COMPUTATION THEORY; CORRELATION THEORY; ELECTRONS; ENERGY DISSIPATION; GROUND STATE; MOLECULAR DYNAMICS; OXYGEN; PHYSICAL PROPERTIES;

DIOXYGEN MOLECULE; DISSOCIATION ENERGIES; DYNAMIC CORRELATION; VALENCE BOND (VB) THEORY;

CHEMICAL BONDS;

OXYGEN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; THEORETICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; ELECTROSTATICS; MODELS, CHEMICAL; MODELS, THEORETICAL; OXYGEN; QUANTUM THEORY; SOLUTIONS;

EID: 33846627272     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20490     Document Type: Article

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