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Volume 2 (2014)
Keywords = AIM
Number of Articles: 1
Characterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br): An ab initio, DFT, NBO and AIM study
Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, , Pages 316-325
Abstract
The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br) complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2) and the density functional theory (DFT) calculations. The results show that there are two types of lowest interaction ... Read More)