Ab initio double-ζ (D95) valence bond calculations for the ground states of NO2, O3, and ClO2

Inorganica Chimica Acta

Volumn 358, Issue 14, 2005, Pages 4131-4136

  Klapötke, Thomas M ^a   Harcourt, Richard D ^b   Li, Jiabo ^c  

^a UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF MELBOURNE   (Australia)

^c SciNet Technologies   (United States)

Author keywords

Chlorine dioxide; Lewis structures; Nitrogen dioxide; Ozone; Valence bond (VB) calculations

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONS; GROUND STATE; NITROGEN OXIDES; OZONE; QUANTUM CHEMISTRY;

CHARGE SEPARATIONS; CHLORINE DIOXIDES; ELECTRON CHARGE; LEWIS STRUCTURE; NITROGEN DIOXIDES; STRUCTURAL WEIGHT; VALENCE BONDS; VALENCE ELECTRON;

CHLORINE COMPOUNDS;

EID: 27844538373     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2004.12.018     Document Type: Article

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