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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

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Date

2013

Authors

Rostov, Ivan
Kobayashi, Rika

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

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

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Keywords

Citation

URI

http://hdl.handle.net/1885/77671

Collections

ANU Research Publications

Source

Physical Chemistry Chemical Physics

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1039/c3cp51574e

Restricted until

2037-12-31

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01_Rostov_A_correlated_ab_initio_quantum_2013.pdf (3.14 MB)

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