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• W1976564103 startingPage "12930" @default.
• W1976564103 abstract "The interactions of the metal ions Na(+), Mg(2+), Ca(2+) and Zn(2+) with cytosine have been investigated with inclusion of solvent effects. Computations have been performed at the density functional and Møller-Plesset levels of theory within the IEFPCM solvent model. It has been found that the inclusion of the solvent environment is essential for giving more biologically realistic results. Earlier gas-phase findings of the stabilisation of rare tautomeric forms by the metal ions have been reproduced, with the presence of the solvent further affecting the relative stabilities." @default.
• W1976564103 created "2016-06-24" @default.
• W1976564103 creator A5015605237 @default.
• W1976564103 creator A5036058579 @default.
• W1976564103 date "2013-01-01" @default.
• W1976564103 modified "2023-09-24" @default.
• W1976564103 title "A correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+ and Zn2+ ions with the tautomers of cytosine in the presence of polar solvent" @default.
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• W1976564103 doi "https://doi.org/10.1039/c3cp51574e" @default.
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