A correlated ab initio quantum chemical study of the interaction of the Na + , Mg 2+ , Ca 2+ and Zn 2+ ions with the tautomers of cytosine in the presence of polar solvent
The interactions of the metal ions Na+, Mg2+, Ca 2+ and Zn2+ 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
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|Source:||Physical Chemistry Chemical Physics|
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