Data for: "Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions" (2nd Revision)



This dataset contains the log files the DFT and MP2 calculations (as text files) generated with Gaussian09 (revision D), in order to understand the transition from a stepwise to a concerted mechanism in SNAr reactions.

This is a revised version of the dataset originally deposited and made available in May 2020
Date made available8 Jun 2020
PublisherUniversity of Strathclyde

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