Dynamical Bifurcation in Gas-Phase XH−+ CH3Y SN2 Reactions: The Role of Energy Flow and Redistribution in Avoiding the Minimum Energy Path
Author:
Affiliation:
1. Departamento de Química Fundamental; CCEN; Universidade Federal de Pernambuco; 50.740-560 Recife, PE Brazil
2. Instituto de Química; CCET; Universidade Federal do Rio Grande do Norte; 59.072-970 Natal, RN Brazil
Funder
CNPq
CAPES
FACEPE
FINEP
Publisher
Wiley
Subject
General Chemistry,Catalysis,Organic Chemistry
Reference108 articles.
1. A Direct Comparison of Reactivity and Mechanism in the Gas Phase and in Solution
2. Molecular Dynamics with a Quantum-Chemical Potential: Solvent Effects on an SN2 Reaction at Nitrogen
3. The Effect of Microsolvation on E2 and SN2 Reactions: Theoretical Study of the Model System F− + C2H5F +nHF
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