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Halogen Bonding from a Hard and Soft Acids and Bases Perspective: Investigation by Using Density Functional Theory Reactivity Indices |
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| Authors: | Dr Balazs Pinter Nick Nagels Prof Wouter A Herrebout Prof Frank De Proft |
| Institution: | 1. Eenheid Algemene Chemie (ALGC), Member of the QCMM VUB‐UGent Alliance Research Group, Vrije Universiteit Brussel, Pleinlaan 2, Brussels (Belgium), Fax: (+32)?26293317;2. Cryospectroscopy Research group Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium), Fax: (+32)?32653320 |
| Abstract: | |
| Keywords: | bond theory charge transfer density functional calculations halogen bonds noncovalent interactions |