Editorial
Robles, Juvencio
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 Articles |
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| | · Role of Lithium Decoration on Hydrogen Storage Potential
Pan, Sudip; Banerjee, Swastika; Chattaraj, Pratim K.
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| | · 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
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| | · Do Casiopeinas® Prevent Cancer Disease by Acting as Antiradicals? A Chemical Reactivity Study Applying Density Functional Theory
Avelar, Mayra; Martínez, Ana
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| | · A Local Extension of the Electrophilicity Index Concept
Cedillo, Andrés; Contreras, Renato
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| | · The Storage of Hydrogen in Nanoporous Carbons
Alonso, Julio A.; Cabria, Iván; López, María J.
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| | · Noble Gases Encaged by the C60 Increase Their Chemical Reactivity
Cortés-Santiago, Avelino; Vargas, Rubicelia; Garza, Jorge
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| | · 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
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| | · Development of Barostats for Finite Systems Born-Oppenheimer Molecular Dynamics Simulations
Gamboa, Gabriel Ulises; Calaminici, Patrizia; Köster, Andreas M.
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| | · 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
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| | · The Electrodonating and Electroaccepting Powers in Atoms
Orozco-Valencia, Ángel Ulises; Vela, Alberto
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| | · 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
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| | · Auxiliary Density Perturbation Theory for Restricted Open-Shell Systems
Guzmán-Ramírez, Gregorio; Tenorio, Francisco José; Rodríguez-Zavala, Jaime Gustavo; Flores-Moreno, Roberto
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| | · 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
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| | · 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
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