Quantum dynamics of SN2 reactions on CCSD(T) potential energy surfaces: Cl−+CH3Cl and Cl−+CH3Br
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference28 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. Trajectory studies of SN2 nucleophilic substitution. I. Dynamics of Cl−+CH3Cl reactive collisions
4. Quantum dynamics of the Walden inversion reaction Cl−+CH3Cl→ClCH3+Cl−
5. Temperature dependence of the rate constant for the Cl−+CH3Br reaction down to 23 K
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1. Free-Energy Landscape of the SN2 Reaction CH3Br + Cl– → CH3Cl + Br– in Different Liquid Environments;The Journal of Physical Chemistry B;2022-05-11
2. 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
3. Reaction cross sections and thermal rate constant for Cl− + CH3Br → ClCH3 + Br− from J-dependent quantum scattering calculations;Physical Chemistry Chemical Physics;2016
4. Chemical Dynamics Simulations of X– + CH3Y → XCH3 + Y– Gas-Phase SN2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms;The Journal of Physical Chemistry A;2012-02-23
5. Rotational effects in complex-forming bimolecular substitution reactions: A quantum-mechanical approach;The Journal of Chemical Physics;2009-12-14
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