An ab initio molecular dynamics study of the SN2 reaction Cl−+CH3Br→CH3Cl+Br−
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.480490
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1. Insight into Chemical Reactions from First-Principles Simulations: The Mechanism of the Gas-Phase Reaction of OH Radicals with Ketones
2. Ab Initio Molecular Dynamics Study of the Reaction of Water with Formaldehyde in Sulfuric Acid Solution
3. Ab initio molecular dynamics simulations of the gas-phase reaction of hydroxyl radical with nitrogen dioxide radical
4. Ab initio molecular dynamics simulations on the hydrolysis of methyl chloride with explicit consideration of three water molecules
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