DNA and RNA in Computational Chemistry
Submission Deadline: Oct. 30, 2015
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
Guidelines for Submission
Manuscripts can be submitted until the expiry of the deadline. Submissions must be previously unpublished and may not be under consideration elsewhere.
Papers should be formatted according to the guidelines for authors (see: http://www.sciencepublishinggroup.com/journal/guideforauthors?journalid=228). By submitting your manuscripts to the special issue, you are acknowledging that you accept the rules established for publication of manuscripts, including agreement to pay the Article Processing Charges for the manuscripts. Manuscripts should be submitted electronically through the online manuscript submission system at http://www.sciencepublishinggroup.com/login. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal and will be listed together on the special issue website.
Published Papers
The special issue currently is open for paper submission. Potential authors are humbly requested to submit an electronic copy of their complete manuscript by clicking here.
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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