An ab initio molecular dynamics study of the S[sub N]2 reaction F[sup −]+CH[sub 3]Cl→CH[sub 3]F+Cl[sup −]
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference64 articles.
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1. An interacting quantum atom study of model SN2 reactions (X-···CH3X, X = F, Cl, Br, and I);Journal of Computational Chemistry;2017-11-10
2. Variational Flooding Study of a SN2 Reaction;The Journal of Physical Chemistry Letters;2017-01-17
3. Tetrel bond–σ-hole bond as a preliminary stage of the SN2 reaction;Phys. Chem. Chem. Phys.;2014
4. Dynamics of the F− + CH3Cl → Cl− + CH3F SN2 reaction on a chemically accurate potential energy surface;Chemical Science;2013
5. Real-World Predictions from Ab Initio Molecular Dynamics Simulations;Multiscale Molecular Methods in Applied Chemistry;2011
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