Published Special Issue
Volume 3, Issue 3-1
Expired Date:
Mar. 30, 2015
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Home / Journals / International Journal of Computational and Theoretical Chemistry / Electronic Proprieties in Computational Chemistry
Electronic Proprieties in Computational Chemistry
Lead Guest Editor:
Mariana Virginia Popa
Electronic and Telecomunication, Autonomous University of the Hidalgo State, Pachuca, Hidalgo, Mexico
Guest Editors
Francisco Miguel Castro Martínez
Faculty of Chemistry, Theoretical Chemistry, National Autonomous University of Mexico
Mexico City, Distrito Federal, Mexico
Paper List
1
Authors: Mariana Virginia Popa
Pages: 1-18 Published Online: Mar. 10, 2015
Views 2543 Downloads 167
2
Authors: Mariana Virginia Popa
Pages: 19-35 Published Online: Mar. 10, 2015
Views 2464 Downloads 145
3
Authors: Mariana Virginia Popa
Pages: 36-57 Published Online: Mar. 10, 2015
Views 2444 Downloads 147
Introduction
For complete understanding of the physics and chemistry of clusters, surface, organic, inorganic and organometallic compound applications are employing different theoretical models, is, by its very nature, a demanding topic in many-body physics In this area, studies of coinage metal clusters are particulary significant because they offer a wide range of characteristic proprieties and because of their usage in industrial applications. In general all studies of chemistry compound are important for their applications in experimental area. This special issue is to improve the dissemination of advanced research in the area computational chemistry use the electronic proprieties. Original research papers are solicited in any aspect of computational chemistry.

Aims and Scope:

1. Explanation of structure
2. To determine electronic affinity, ionization potential, hardness, electronegativity, frequencies, hardness, entropy-S, enthalpy -H, free energy-G, dipole moment
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