High-level ab initio potential energy surface and dynamics of the F−+ CH3I SN2 and proton-transfer reactions
Author:
Affiliation:
1. Department of Physical Chemistry and Materials Science
2. Institute of Chemistry
3. University of Szeged
4. Szeged H-6720
5. Hungary
Abstract
The first analyticalab initiopotential energy surface reveals the dynamics and different mechanisms of the F−+ CH3I reaction.
Funder
Applied Scientific Research Fund
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/SC/C7SC00033B
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5. Dynamics of the F− + CH3Cl → Cl− + CH3F SN2 reaction on a chemically accurate potential energy surface
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