Four-mode quantum calculations of resonance states in complex-forming bimolecular reactions: Cl−+CH3Br
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1924406
Reference58 articles.
1. Simulations of Gas-Phase Chemical Reactions: Applications to S N 2 Nucleophilic Substitution
2. Gas-Phase Ionic Reactions: Dynamics and Mechanism of Nucleophilic Displacements
3. Gas phase nucleophilic substitution
4. Quantum Dynamics of Gas-Phase SN2 Reactions
5. Quantum-mechanical study of the resonances of the SN2 reaction Cl-+CH3Cl→ClCH3+Cl-
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1. A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH3Cl pre-reaction complex with the VENUS suite of codes;The Journal of Chemical Physics;2018-10-28
2. Quantum Dynamics Study of the Potential Energy Minima Effect on Energy Efficiency for the F– + CH3Cl → FCH3 + Cl– Reaction;The Journal of Physical Chemistry A;2017-04-03
3. Direct Chemical Dynamics Simulations;Journal of the American Chemical Society;2017-02-09
4. Mode-Specific SN2 Reaction Dynamics;The Journal of Physical Chemistry Letters;2016-08-12
5. Reaction cross sections and thermal rate constant for Cl− + CH3Br → ClCH3 + Br− from J-dependent quantum scattering calculations;Physical Chemistry Chemical Physics;2016
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