Activation barriers of SN2 reactions: F− + CH3F and H− + CH3F. Fourth-order MB RSPT calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. Theoretical study of SN2 reactions. Ab initio computations on HF and CI level
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3. Many body perturbation calculations and coupled electron pair models
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3. First-Principle Molecular Dynamic Simulations along the Intrinsic Reaction Paths;The Journal of Physical Chemistry A;2001-04-11
4. Potential Energy Surfaces of the Gas-Phase SN2 Reactions X- + CH3X = XCH3 + X- (X = F, Cl, Br, I): A Comparative Study by Density Functional Theory and ab Initio Methods;Journal of the American Chemical Society;1994-11
5. Complex Formation and Direct Collision Dynamics in Gas-Phase Nucleophilic Substitution Reactions;Dynamics of Ion–Molecule Complexes;1994
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