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

Fiftieth Anniversary of
Revista de la Sociedad Química de México
(Journal of the Mexican Chemical Society)

Volume 52, Issue 1, 2008

Contents and Graphical Abstracts

January-March, 2008

Pages  Table of Contents and Graphical Abstracts
1-2 Editorial
3-10 Perspectives on the Density Functional Theory of Chemical Reactivity
José L. Gázquez*
11-18 Revisiting the Effects of the Molecular Structure in the Kinetics of Electron transfer of Quinones: Kinetic Differences in Structural Isomers
Carlos Frontana* and Ignacio González
19-30 von Neumann Entropies Analysis in Hilbert Space for the Dissociation Processes of Homonuclear and Heteronuclear Diatomic Molecules
Nelson Flores-Gallegos and Rodolfo O. Esquivel*
31-35 The Role of the Linearity on the Hydrogen Bond in the Formamide Dimer: a BLYP, B3LYP, and MP2 Study
José-Zeferino Ramírez, Rubicelia Vargas* and Jorge Garza
36-46 Mechanism and Kinetics of the OH• Radical Reaction with Formaldehyde Bound to an Si(OH)4 Monomer
Cristina Iuga, Rodolfo Esquivel Olea and Annik Vivier-Bunge*
47-53 Equilibrium Constants Determination of the Species Formation in the Al(III)-H2O System by Integration of 27Al-NMR Signals and Fitting with Species Fractions
Alberto Rojas-Hernández,* Julio César Botello, Ma. de Lourdes Pacheco-Hernández, Atilano Gutiérrez, José Manuel Domínguez, Gabriela Espinosa, and María Teresa Ramírez-Silva
54-59 Synthesis, Structure and Magnetic Differences of Two ?-Nitronyl Nitroxide Isomers
Araceli Vega, Juan Padilla,* Marco Antonio Leyva, María del Jesús Rosales and Sylvain Bernès
60-66 Shannon Entropies of Atomic Basins and Electron Correlation Effects
Robin P. Sagar* and Minhhuy Hô
67-73 Bi and Three-Metallic Electrocatalysts Preparation for Methanol Oxidation
Yara Márquez-Navarro,* Laura Galicia,* Víctor Hugo Lara and Gloria Del Ángel
74-77 Folded Conformations of Maitotoxin
Myrna H. Matus, Laura Escobar and Marcelo Galván*
78-87 Molecular Speciation Effect on Docking and Drug Design. A Computational Study for Mangiferin, a Carbohydrate-Polyphenol Bioconjugate as a Test Case
Berenice Gómez-Zaleta,* Claudia Haydée González-De la Rosa, Gerardo Pérez-Hernández, Hiram I. Beltrán, Felipe Aparício, Alberto Rojas-Hernández and Arturo Rojo-Domínguez*
88-92 Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water
Roberto López-Rendón and José Alejandre*
93-98 Molecular adsorption of NO on a Pd4 cluster: A density functional theory (DFT) study
Virineya Bertin,* Gloria del Ángel, Marco A. Mora, Enrique Poulain, Oscar Olvera and Roberto López-Rendón
99-102 Ethane Internal Rotation -Vibrational Hamiltonian
David Ricardo Hidalgo-Olguín, María Villa,* María Luisa Senent and Marco Antonio Mora-Delgado

ISSN 1665-9686
Copyright © 2004 The Mexican Chemical Society