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For questions involving the nucleophilicity of a chemical species. Not to be confused with "basicity", use the [acid-base] tag instead.

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Is there a metric that we can use to determine if a species is more nucleophilic or more basic?

Fukui Functions, or some QTAIM indicators would be good starting points but I do not have a clue on how to design a simulation and data analysis workflow that could help predict with enough accuracy if nucleophilicity
Giuseppe Basile's user avatar