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Journal of the Mexican Chemical Society
Print version ISSN 1870-249X

 

Table of contents
J. Mex. Chem. Soc vol.56 n.3 México Jul./Sep. 2012

Editorial
Robles, Juvencio

        · text in English     · English ( pdf )
  
 Articles
  
 ·  Role of Lithium Decoration on Hydrogen Storage Potential
Pan, Sudip; Banerjee, Swastika; Chattaraj, Pratim K.

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Reactivity Indexes and O-H Bond Dissociation Energies of a Large Series of Polyphenols: Implications for their Free Radical Scavenging Activity
Pérez-González, Adriana; Rebollar-Zepeda, Aida Mariana; León-Carmona, Jorge Rafael; Galano, Annia

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Do Casiopeinas® Prevent Cancer Disease by Acting as Antiradicals? A Chemical Reactivity Study Applying Density Functional Theory
Avelar, Mayra; Martínez, Ana

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  A Local Extension of the Electrophilicity Index Concept
Cedillo, Andrés; Contreras, Renato

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  The Storage of Hydrogen in Nanoporous Carbons
Alonso, Julio A.; Cabria, Iván; López, María J.

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Noble Gases Encaged by the C60 Increase Their Chemical Reactivity
Cortés-Santiago, Avelino; Vargas, Rubicelia; Garza, Jorge

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  The Role of the CH/π Weak Interaction in the Geometrical Conformation: An Aromatic Acetamide Derivative System as an Example
Ramírez, José-Zeferino; Vargas, Rubicelia; Padilla-Martínez, Itzia I.; Flores-Huerta, Anaid G.; Garza, Jorge

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Development of Barostats for Finite Systems Born-Oppenheimer Molecular Dynamics Simulations
Gamboa, Gabriel Ulises; Calaminici, Patrizia; Köster, Andreas M.

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  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
Torres, Ana Elizabeth; Pandiyan, Thangarasu; Colmenares, Fernando

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  The Electrodonating and Electroaccepting Powers in Atoms
Orozco-Valencia, Ángel Ulises; Vela, Alberto

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Theoretical quantum study about the adsorption of BH4- onto X(100) where (X = Cu, Ag and Au)
Mendoza-Huizar, Luis Humberto; García Rodríguez, Diana Elizabeth; Ríos-Reyes, Clara Hilda; Alatorre-Ordaz, Alejandro

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 ·  An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions
Poater, Jordi; Swart, Marcel; Solà, Miquel

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 ·  Rate Constants and Branching Ratios in the Oxidation of Aliphatic Aldehydes by OH Radicals under Atmospheric Conditions
Castañeda, Romina; Iuga, Cristina; Álvarez-Idaboy, J. Raúl; Vivier-Bunge, Annik

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Auxiliary Density Perturbation Theory for Restricted Open-Shell Systems
Guzmán-Ramírez, Gregorio; Tenorio, Francisco José; Rodríguez-Zavala, Jaime Gustavo; Flores-Moreno, Roberto

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  GGA/PBE study of the spin isomers of Fe34,40, Co23,34, and Co12Cu Clusters with Selected Geometries
Aguilera-Granja, Faustino; Vega, Andrés; Balbás, Luis Carlos

        · abstract in English | Spanish     · text in English     · English ( pdf )
  
 ·  Application of the Active Space Self-Interaction-Correction Method to Molecular Systems
Aparicio, Felipe; Garza, Jorge; Galván, Marcelo

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 ·  Elucidating the Catalytic Role of Mg(II) in the Intramolecular Proton Transfer Reaction in Thymine
Vogt-Geisse, Stefan; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Toro-Labbé, Alejandro

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 ·  Nucleophilic Attack at the Pyridine Nitrogen Atom in a Bis(imino)pyridine System: The Local Hard and Soft Acids and Bases Principle Perspective
Richaud, Arlette; Méndez, Francisco

        · abstract in English | Spanish     · text in English     · English ( pdf )
  

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