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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

Rostov, Ivan; Kobayashi, Rika

Description

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

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
URI: http://hdl.handle.net/1885/77671
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/c3cp51574e

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