Journal of the Mexican Chemical Society
(J.Mex. Chem. Soc.)
former Revista de la Sociedad Química de México (Rev. Soc. Quím. Méx.)

Volume 56, Issue 3, pp 227-354
July-September, 2012

Pages  Table of Contents and Graphical Abstracts
227-228 Editorial
229-240 Role of Lithium Decoration on Hydrogen Storage Potential
Sudip Pan, Swastika Banerjee and Pratim K. Chattaraj*
241-249 Reactivity Indexes and O-H Bond Dissociation Energies of a Large Series of Polyphenols: Implications for their Free Radical Scavenging Activity
Adriana Pérez-González, Aida Mariana Rebollar-Zepeda, Jorge Rafael León-Carmona, and Annia Galano
250-256 Do Casiopeinas® Prevent Cancer Disease by Acting as Antiradicals? A Chemical Reactivity Study Applying Density Functional Theory
Mayra Avelar and Ana Martínez
257-260 A Local Extension of the Electrophilicity Index Concept
Andrés Cedillo* and Renato Contreras
261-269 The Storage of Hydrogen in Nanoporous Carbons
Julio A. Alonso, Iván Cabria and María J. López
270-274 Noble Gases Encaged by the C60 Increase Their Chemical Reactivity
Avelino Cortés-Santiago, Rubicelia Vargas and Jorge Garza*
275-278 The Role of the CH/p Weak Interaction in the Geometrical Conformation: An Aromatic Acetamide Derivative System as an Example
José-Zeferino Ramírez, Rubicelia Vargas, *Itzia I. Padilla-Martínez, Anaid G. Flores-Huerta and Jorge Garza
279-286 Development of Barostats for Finite Systems Born-Oppenheimer Molecular Dynamics Simulations
Gabriel Ulises Gamboa, *Patrizia Calaminici* and Andreas M. Köster*
287-293 MCSCF-MRMP2 and DFT Exploratory Study on the Stability of Possible Intermediates in the Ru(H2O)62+ + H2O2 Reaction: Importance of the Multiconfigurational Character in the Description of the Ru=O Moiety
Ana Elizabeth Torres, Thangarasu Pandiyan, and Fernando Colmenares*
294-301 The Electrodonating and Electroaccepting Powers in Atoms
Ángel Ulises Orozco-Valencia and Alberto Vela*
302-310 Theoretical quantum study about the adsorption of BH4- onto X(100) where (X = Cu, Ag and Au)
Luis Humberto Mendoza-Huizar, *Diana Elizabeth García Rodríguez, Clara Hilda Rios-Reyes, Alejandro Alatorre-Ordaz
311-315 An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions
Jordi Poater, Marcel Swart, and Miquel Solà*
316-324 Rate Constants and Branching Ratios in the Oxidation of Aliphatic Aldehydes by OH Radicals under Atmospheric Conditions
Romina Castañeda, Cristina Iuga, J. Raul Alvarez-Idaboy and Annik Vivier-Bunge
325-330 Auxiliary Density Perturbation Theory for Restricted Open-Shell Systems
Gregorio Guzmán-Ramírez, Francisco José Tenorio, Jaime Gustavo Rodríguez-Zavala, Roberto Flores-Moreno*
331-337 GGA/PBE study of the spin isomers of Fe34,40, Co23,34, and Co12Cu Clusters with Selected Geometries
Faustino Aguilera-Granja, Andrés Vega, and Luis Carlos Balbás*
338-345 Application of the Active Space Self-Interaction-Correction Method to Molecular Systems
Felipe Aparicio, Jorge Garza y Marcelo Galván*
346-350 Elucidating the Catalytic Role of Mg(II) in the Intramolecular Proton Transfer Reaction in Thymine
Stefan Vogt-Geisse, Soledad Gutiérrez-Oliva, Bárbara Herrera, and Alejandro Toro-Labbé*
351-354 Nucleophilic Attack at the Pyridine Nitrogen Atom in a Bis(imino)pyridine System: The Local Hard and Soft Acids and Bases Principle Perspective
Arlette Richaud and Francisco Méndez*
*The asterisk indicates the name of the author to whom inquires about the paper should be addressed

ISSN 1665-9686
Copyright © 2004 The Mexican Chemical Society