A Study of the Tautomeric Equilibria of 2-Hydroxypyridine/2-Oxopyridine and of Cytosine in Water Using the Coupled Reference Interaction Site Model(RISM)/Molecular Dynamics (MD) Approach
Author:
Affiliation:
1. Henry Eyring Center for Theoretical Chemistry, Department of Chemistry, University of Utah, 315 South 1400 East, room 2020, Salt Lake City, Utah 84112-0850
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/jp046453y
Reference49 articles.
1. A theoretical study of tautomerism in the gas phase and aqueous solution: a combined use of state-of-the-art ab initio quantum mechanics and free energy-perturbation methods
2. Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution : Part 1. Cytosine
3. Tautomerism and Protonation of Guanine and Cytosine. Implications in the Formation of Hydrogen-Bonded Complexes
4. A Quantum Mechanical and Molecular Mechanical Method Based on CM1A Charges: Applications to Solvent Effects on Organic Equilibria and Reactions
5. Polarization Effects on the Tautomeric Equilibria of 2- and 4-Hydroxypyridine in Aqueous and Organic Solution
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