Coupled cluster calculations for the SN2 reaction Cl− + CH3Br → ClCH3 + Br−
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Spectroscopy,Condensed Matter Physics,Instrumentation
Reference29 articles.
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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
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3. Reactive molecular dynamics for the [Cl–CH 3 –Br] − reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields;Electronic Structure;2019-05-20
4. Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes, and Reactions;Journal of Chemical Theory and Computation;2018-02-28
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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