Data for: "Concerted and Stepwise Mechanistic Domain of SNAr Reactions"



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.
*Dataset was updated on 30/04/20 and new version is related in this record.
Date made available19 Feb 2020
PublisherUniversity of Strathclyde

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