A MP2(full) theoretical investigation on the π-halogen interaction between OCB≡BCO and X1X2 (X1, X2=F, Cl, Br)

Journal of Molecular Structure: THEOCHEM

Volumn 961, Issue 1-3, 2010, Pages 73-82

  Dong, Xiu fang ^a   Ren, Fu de ^a   Cao, Duan lin ^a   Wang, Wei na ^b   Zhang, Fu qiang ^c  

^a NORTH UNIVERSITY OF CHINA   (China)

^b SHAANXI NORMAL UNIVERSITY   (China)

^c SHANGQIU NORMAL UNIVERSITY   (China)

Author keywords

Electron density shifts; Energy decomposition analysis; Extrapolated energy; OCB BCO; Electron donor; Halogen bond interaction

Indexed keywords

EID: 78149409818     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.09.002     Document Type: Article

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