Physical chemistry
Characterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br): An ab initio, DFT, NBO and AIM study

Morteza Vatanparast; Nabi Javadi; Rasoul Pourtaghavi Talemi; Elahe Parvini

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

Characterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br): An ab initio, DFT, NBO and AIM study