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

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

Research Output

Concerted nucleophilic aromatic substitution reactions

Rohrbach, S., Smith, A. J., Pang, J. H., Poole, D. L., Tuttle, T., Chiba, S. & Murphy, J. A., 11 Nov 2019, In : Angewandte Chemie International Edition. 58, 46, p. 16368-16388 21 p.

Research output: Contribution to journalArticle

Open Access
File
  • 17 Citations (Scopus)
    269 Downloads (Pure)

    Cite this

    Rohrbach, S. (Creator), Murphy, J. (Contributor), Tuttle, T. (Contributor) (19 Feb 2020). Data for: "Concerted and Stepwise Mechanistic Domain of SNAr Reactions". University of Strathclyde. 10.15129/289a4204-12ff-4ead-9490-d11fac96f645