Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 854, Issue 1-3, Pages 35-39Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2007.12.042
Keywords
multicenter bond index (MCI); aromaticity; NICS; bonding; reactivity
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Some representative chemical reactions and all-metal aromatic/antiaromatic compounds are studied ab initio in order to understand the efficacy of the multicenter indices in providing insights into the associated bonding, reactivity and aromaticity. It is observed that the said indices serve the purpose in most cases. (c) 2007 Elsevier B.V. All rights reserved.
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