Modeling of the ‘hydration shell’ of uracil and thymine in small water clusters by DFT and MP2 methods
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference24 articles.
1. Monte Carlo study of three-dimensional organization of water molecules around DNA fragments
2. Modeling of the Hydration Shell of Uracil and Thymine
3. Does the Hydrated Cytosine Molecule Retain the Canonical Structure? A DFT Study
4. Molecular Structure and Hydrogen Bonding in Polyhydrated Complexes of Adenine: A DFT Study
5. Microsolvation effects on the electron capturing ability of thymine: Thymine-water clusters
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1. Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-03
2. How proton transfer affects the helical parameters in DNA:DNA microhelices;Journal of Biomolecular Structure and Dynamics;2021-11-22
3. Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways;ChemPlusChem;2021-10
4. Electric properties of hydrated uracil: From micro- to macrohydration;Journal of Molecular Liquids;2019-02
5. Size-dependent proton localization in hydrated uracil clusters: A joint experimental and theoretical study;The Journal of Chemical Physics;2019-01-07
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