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Characteristics and nature of halogen bonds in linear clusters of NCX (X=Cl,and Br): an ab initio,NBO and QTAIM study |
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| Authors: | Mehdi D Esrafili Nasser L Hadipour |
| Institution: | 1. Laboratory of Theoretical Chemistry, Department of Chemistry , University of Maragheh , Maragheh, Iran esrafili@maragheh.ac.ir;3. Department of Chemistry , Tarbiat Modares University , Tehran, Iran |
| Abstract: | |
| Keywords: | halogen bond QTAIM NBO cooperative effects EDA |