Catalytic Effect of Aqueous Solution in Water-Assisted Proton-Transfer Mechanism of 8-Hydroxy Guanine Radical
Author:
Affiliation:
1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, China
Funder
Shandong Province
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.7b09965
Reference36 articles.
1. Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4 + OH– in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants
2. A multilayered-representation, quantum mechanical/molecular mechanics study of the CH3Cl + F− reaction in aqueous solution: the reaction mechanism, solvent effects and potential of mean force
3. Investigation of the CH3Cl + CN− reaction in water: Multilevel quantum mechanics/molecular mechanics study
4. A new, double-inversion mechanism of the F− + CH3Cl SN2 reaction in aqueous solution
5. Quantum Chemical Study of the Thermodynamic and Kinetic Aspects of the SN2 Reaction in Gas Phase and Solution Using a DFT Interpretation
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