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Expired Date:
Oct. 30, 2015
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DNA and RNA in Computational Chemistry
Lead Guest Editor:
Professor Mariana Virginia Popa
Electronic and Telecomunication, Autonomous University of the Hidalgo State, Pachuca, Hidalgo, Mexico
Guest Editors
Professor Francisco Miguel Castro Martinez
Faculty Of Chemistry, Theoretical Chemistry,Nationalautonomous University Of Mexico
Mexico City, D.F., Mexico
Professor Ana María Martínez Vázquez
Institute of Materials Investigation, Theoretical Chemistry, Autonomous National University of Mexico
Distrito Federal, Mexico
The importance end preoccupation in the field of the biochemistry and theoretical chemical-physics is to know the active centre in the ADN and RNA chain. On the other hand, the interaction of the metals with the ADN and RNA bases has been the subject of numerous publications. The ab initio calculations as the properties such the electron affinities (EAs) and ionization potentials (IPs) have been presented en meany works with different levels of theory and are reported experimental data. As the DNA bases is very popular benchmark molecules the papers mentioned the bond length and angles, vibrational frequencies. In the literature has written many papers where mention the influence of the charge, the HOMO and LUMO energies, the hardness, Fukui Functions condensate, and electronegativity for the better understand of the reactivity of the molecule in gas phase and different solvents.

Aims and Scope:
1. DNA and RNA structure
2. Electron Affinities
3. Ionization Potentials
4. Vibrational frequencies
5. HOMO and LUMO energies
6. Fukui Functions condensate
7. Hardness
8. Electronegativity
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