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

Dataset

Description

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 February 2020
Date made available1 May 2020
PublisherUniversity of Strathclyde

Cite this

Rohrbach, S. (Creator), Murphy, J. (Contributor), Tuttle, T. (Contributor) (1 May 2020). Data for: "Concerted and Stepwise Mechanistic Domain of SNAr Reactions" (Revised). University of Strathclyde. cSNAr_Computational_Data(.zip). 10.15129/4c87d271-4469-4ed5-98dd-4d1d4b46e237