An ab initio quantum chemical study of cumulative double bonds: Stability of various conformers and charge distribution analysis. Part I. XY 2H 2 hierarchy (X=O, S, Se and Y=N, P, As)

Journal of Molecular Structure: THEOCHEM

Volumn 683, Issue 1-3, 2004, Pages 195-206

  Shahbazian, Shant ^a   Zahedi, Mansour ^a  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Ab initio methods; Correlation consistent basis sets; Cumulative double bonds; DFT methods; Sulfur diimides

Indexed keywords

ARSENIC; NITROGEN; OXYGEN; PHOSPHORUS; SELENIUM DERIVATIVE; SULFUR DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CONFORMATION; ENERGY; GEOMETRY; QUANTUM CHEMISTRY;

EID: 4544286409     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.06.017     Document Type: Article

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