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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

Authors :
Rostov, Ivan
Kobayashi, Rika
Rostov, Ivan
Kobayashi, Rika
Source :
Physical Chemistry Chemical Physics
Publication Year :
2013

Abstract

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

Details

Database :
OAIster
Journal :
Physical Chemistry Chemical Physics
Publication Type :
Electronic Resource
Accession number :
edsoai.on1291805977
Document Type :
Electronic Resource