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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 30(19), p. 20127-20136, 2017

DOI: 10.1039/c7cp02998e

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Potential energy surface stationary points and dynamics of the F− + CH3I double inversion mechanism

Journal article published in 2017 by Yong-Tao Ma, Xinyou Ma ORCID, Anyang Li, Hua Guo ORCID, Li Yang ORCID, Jiaxu Zhang, William L. Hase
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Direct dynamics simulations were performed to study the SN2 double inversion mechanism SN2-DI, with retention of configuration, for the F+ CH3I reaction.