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Application for deriving hidden descriptors for nucleophiles: entering and leaving groups.

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SN2 App

An App to calculate hidden descriptors (HDs) for nucleophiles in the bimolecular nucleophilic substitution reaction [1].

See the result at maserasgroup-repo.github.io/sn2app

[1] L. Morán, M. Besora, F. Maseras. "Seeking the Optimal Descriptor for SN2 Reactions through Statistical Analysis of Density Functional Theory Results", 2022. J. Org. Chem. 87, 1, 363–372.

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Application for deriving hidden descriptors for nucleophiles: entering and leaving groups.

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