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- W1649415717 abstract "In this study we analyze, using ab initio methods, the nature of intermolecular interactions in adenine‐cytosine complexes in conformations that mimick those appearing in B‐DNA. In particular, we focus on the changes of the electrostatic component upon modification of the adenine by the hydroxyl radical. We have found significant variations of first‐order electrostatic interactions, ranging from −6 kcal/mol to +2 kcal/mol, for various structures of oxidized complexes. None the less, the dispersion energy is the largest in magnitude as far as the stabilization contributions are concerned." @default.
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- W1649415717 date "2009-01-01" @default.
- W1649415717 modified "2023-09-25" @default.
- W1649415717 title "On the Role of Electrostatic Interactions in Stabilization of Oxidized Nucleic Acid Base Complexes" @default.
- W1649415717 doi "https://doi.org/10.1063/1.3225402" @default.
- W1649415717 hasPublicationYear "2009" @default.
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