Quantifying Free Energy Profiles of Proton Transfer Reactions in Solution and Proteins by Using a Diabatic FDFT Mapping
Author:
Affiliation:
1. Department of Chemistry, University of Southern California, 3620 McClintock Avenue, Los Angeles, California 90089-1062
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/jp076931f
Reference80 articles.
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3. The Magnitude of the Primary Kinetic Isotope Effect for Compounds of Hydrogen and Deuterium.
4. Calculations of enzymic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes
5. Dynamics of reactions in polar solvents. Semiclassical trajectory studies of electron-transfer and proton-transfer reactions
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