Correlated Ab Initio Quantum Chemical Study of the Interaction of the Na+, Mg2+, Ca2+, and Zn2+ Ions with the Tautomers of Cytosine
Date
2012
Authors
Kobayashi, Rika
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American Chemical Society
Abstract
The interaction of the metal ions Na+, Mg2+, Ca2+, and Zn2+ with cytosine have been reinvestigated at the density functional, Møller-Plesset, and coupled cluster levels of theory, including hitherto unstudied tautomeric forms. It has been found that the
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Keywords: Ab initio; Coupled clusters; Density functionals; Quantum chemical studies; Tautomeric forms; Metal ions; Quantum chemistry; Zinc; calcium; cytosine; ion; magnesium; sodium; zinc; article; chemistry; quantum theory; Calcium; Cytosine; Ions; Magnesium; Qua
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Source
Journal of Physical Chemistry A
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Journal article
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2037-12-31
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