Density functional studies on the reagents Me3PX2 (where X=F, Cl, Br and I) in the gas phase and in solution

Journal of Molecular Structure: THEOCHEM

Volumn 761, Issue 1-3, 2006, Pages 1-5

  Godfrey, Stephen M ^a   Hinchliffe, Alan ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

B3LYP; Charge transfer complex; Density functional theory; Dibromine; Dichlorine; Difluorine; Diiodine; PCM; Solvation studies; Trimethylphosphine

Indexed keywords

EID: 33645407839     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.11.029     Document Type: Article

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