Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital‐weighted fukui function
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DOI: 10.1002/jcc.24699
Abstract: The prediction of reactivity is one of the long‐standing objectives of chemistry, contributing to enforce the link between theory and experiment. In particular, the regioselectivity of aromatic molecules has motivated the proposal of different reactivity… read more here.
Keywords: orbital weighted; simple effective; chemistry; reactivity ... See more keywords