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International Journal of Computational and Theoretical Chemistry

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Volume 2, Issue 4, July 2014

Computation of Electronic Proprieties of the DNA and RNA Bases

Mariana Virginia Popa

Issue: Volume 2, Issue 4, July 2014

Pages: 26-40

Received: 1 October 2014

Accepted: 13 October 2014

Published: 20 October 2014

DOI: 10.11648/j.ijctc.20140204.11

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Abstract: In this paper the authors report the optimizations of the DNA and RNA bases (adenine, cytosine, thymine, guanine and uracil) for to determine the electronic proprieties and are employed the LSDA/6-31++G, PBE/6-31++G, PBE/LANL2DZ and PBE/SDD levels of theory both in gas phase and in the presence of the solvent water with the actual implementation of... Show More

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