Vol. 52 No. 1 (2008): Special Issue Thirtieth Anniversary of the Department of Chemistryof the Universidad Autónoma Metropolitana

Published: 2019-12-12

Editorial for the Special Issue 52(1)

Journal of the Mexican Chemical Society J. Mex. Chem. Soc.
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Perspectives on the Density Functional Theory of Chemical Reactivity

José L. Gázquez
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Revisiting the Effects of the Molecular Structure in the Kinetics of Electron transfer of Quinones: Kinetic Differences in Structural Isomers

Carlos Frontana, Ignacio González
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von Neumann Entropies Analysis in Hilbert Space for the Dissociation Processes of Homonuclear and Heteronuclear Diatomic Molecules

Nelson Flores-Gallegos, Rodolfo O. Esquivel Rodolfo O. Esquivel
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The Role of the Linearity on the Hydrogen Bond in the Formamide Dimer: a BLYP, B3LYP, and MP2 Study

José-Zeferino Ramírez, Rubicelia Vargas, Jorge Garza
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Mechanism and Kinetics of the OH• Radical Reaction with Formaldehyde Bound to an Si(OH)4 Monomer

Cristina Iuga, Rodolfo Esquivel Olea, Annik Annik Vivier-Bunge
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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, María Teresa Ramírez-Silva1
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Synthesis, Structure and Magnetic Differences of Two a-Nitronyl Nitroxide Isomers

Araceli Vega, Juan Padilla, Marco Antonio Leyva, María del Jesús Rosales, Sylvain Bernès
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Shannon Entropies of Atomic Basins and Electron Correlation Effects

Robin P. Sagar, Minhhuy Hô
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Bi and Three-Metallic Electrocatalysts Preparation for Methanol Oxidation

Yara Márquez-Navarro, Laura Galicia, Víctor Hugo Lara, Gloria Del Ángel
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Folded Conformations of Maitotoxin

Myrna H. Matus, Laura Escobar, Marcelo Galván
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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 Aparicio, Alberto Rojas-Hernández,, Arturo Rojo-Domínguez
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Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water

Roberto López-Rendón, José Alejandre
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Molecular adsorption of NO on a Pd4 cluster: A density functional theory (DFT) study

Virineya Bertin, Gloria del Angel, Marco A. Mora, Enrique Poulain, Oscar Olvera, Roberto López-Rendón
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Ethane Internal Rotation -Vibrational Hamiltonian

David Ricardo Hidalgo-Olguín, María Villa, María Luisa Senent, Marco Antonio Mora-Delgado
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Editorial for the Special Issue 52(1)

Perspectives on the Density Functional Theory of Chemical Reactivity

Revisiting the Effects of the Molecular Structure in the Kinetics of Electron transfer of Quinones: Kinetic Differences in Structural Isomers

von Neumann Entropies Analysis in Hilbert Space for the Dissociation Processes of Homonuclear and Heteronuclear Diatomic Molecules

The Role of the Linearity on the Hydrogen Bond in the Formamide Dimer: a BLYP, B3LYP, and MP2 Study

Mechanism and Kinetics of the OH• Radical Reaction with Formaldehyde Bound to an Si(OH)4 Monomer

Equilibrium Constants Determination of the Species Formation in the Al(III)-H2O System by Integration of 27Al-NMR Signals and Fitting with Species Fractions

Synthesis, Structure and Magnetic Differences of Two a-Nitronyl Nitroxide Isomers

Shannon Entropies of Atomic Basins and Electron Correlation Effects

Bi and Three-Metallic Electrocatalysts Preparation for Methanol Oxidation

Folded Conformations of Maitotoxin

Molecular Speciation Effect on Docking and Drug Design. A Computational Study for Mangiferin, a Carbohydrate-Polyphenol Bioconjugate as a Test Case

Molecular Dynamics Simulations of the Solubility of H2S and CO2 in Water

Molecular adsorption of NO on a Pd4 cluster: A density functional theory (DFT) study

Ethane Internal Rotation -Vibrational Hamiltonian

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