Jorge Ignacio Martínez-Araya
Jorge Ignacio Martínez-Araya
Associate Professor (UNAB)
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An Electrostatic Interaction Correction for Improved Crystal Density Prediction
P Politzer, J Martínez, JS Murray, MC Concha, A Toro-Labbé
Molecular Physics 107 (19), 2095–2101, 2009
Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?
JI Martínez-Araya
Journal of Mathematical Chemistry 53 (2), 451-465, 2015
An Electrostatic Correction for Improved Crystal Density Predictions of Energetic Ionic Compounds
P Politzer, J Martínez, JS Murray, MC Concha
Molecular Physics 108 (10), 1391–1396, 2010
Local Reactivity Descriptors from Degenerate Frontier Molecular Orbitals
J Martínez
Chemical Physics Letters 478, 310-322, 2009
Energy and Chemical Force Profiles from the Marcus Equation
J Martínez, A Toro-Labbé
Chemical Physics Letters 392, 132-139, 2004
On the Nature of the Active Site in bis(imino)Pyridyl Iron, a Catalyst for Olefin Polymerization
J Martinez, V Cruz, J Ramos, S Gutierrez-Oliva, J Martínez-Salazar, ...
Journal of Physical Chemistry C 112, 5023-5028, 2008
Theoretical study of adsorption of Sarin and Soman on tetrahedral edge clay mineral fragments
A Michalkova, J Martinez, OA Zhikol, L Gorb, OV Shishkin, D Leszczynska, ...
The Journal of Physical Chemistry B 110 (42), 21175-21183, 2006
Computational Nanochemistry Report on the Oxicams Conceptual DFT Indices and Chemical Reactivity
JI Martínez-Araya, G Salgado-Morán, D Glossman-Mitnik
The Journal of Physical Chemistry B 117 (21), 6339-6351, 2013
QSAR Model for Ethylene Polymerisation Catalysed by Supported Bis(imino)pyridine Iron Complexes
VL Cruz, J Martínez, J Martinez-Salazar, J Ramos, ML Reyes, ...
Polymer 48, 7672-7678, 2007
The reaction force. A scalar property to characterize reaction mechanisms
J Martínez, A Toro-Labbé
Journal of Mathematical Chemistry 45, 911-927, 2008
Revisiting Caffeate’s Capabilities as a Complexation Agent to Silver Cation in Mining Processes by means of the Dual Descriptor—a Conceptual DFT Approach
JI Martínez-Araya
Journal of molecular modeling 18, 4299-4307, 2012
Computational nutraceutics: chemical reactivity properties of the flavonoid naringin by means of conceptual DFT
JI Martínez-Araya, G Salgado-Morán, D Glossman-Mitnik
Journal of Chemistry 2013, 2013
The Dual Descriptor to Measure Local Reactivity on Buckminster Fullerenes: An Analysis Within the Framework of Conceptual DFT
JI Martínez, JL Moncada, JM Larenas
Journal of Molecular Modeling 16, 1825–1832, 2010
Explaining reaction mechanisms using the dual descriptor: a complementary tool to the molecular electrostatic potential
JI Martínez-Araya
Journal of molecular modeling 19 (7), 2715-2722, 2013
Effect of the exchange–correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels–Alder reactions: a reaction force constant analysis
D Yepes, J Valenzuela, JI Martínez-Araya, P Pérez, P Jaque
Physical Chemistry Chemical Physics 21 (14), 7412-7428, 2019
Reaction electronic flux as a fluctuation of relative interatomic electronic populations
JI Martı́nez-Araya, A Toro-Labbé
The Journal of Physical Chemistry C 119 (6), 3040-3049, 2015
Explaining some anomalies in catalytic activity values in some zirconocene methyl cations: local hyper-softness
JI Martínez-Araya
The Journal of Physical Chemistry C 117 (47), 24773-24786, 2013
The Mechanism of Ethylene Polymerization Reaction Catalyzed by Group IVB Metallocenes. A Rational Analysis Through the Use of Reaction Force
JI Martínez-Araya, R Quijada, A Toro-Labbe
The Journal of Physical Chemistry C, 0
A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper–softness
C Sandoval-Yañez, C Mascayano, JI Martínez-Araya
Arabian journal of chemistry 11 (4), 554-563, 2018
Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges
JI Martínez-Araya, A Grand, D Glossman-Mitnik
Physical Chemistry Chemical Physics 17 (44), 29764-29775, 2015
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Artículos 1–20