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Jorge Ignacio Martínez-Araya
Jorge Ignacio Martínez-Araya
Associate Professor (UNAB)
Dirección de correo verificada de uc.cl - Página principal
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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
4372009
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
1772015
Local Reactivity Descriptors from Degenerate Frontier Molecular Orbitals
J Martínez
Chemical Physics Letters 478, 310-322, 2009
982009
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
862010
Explaining reaction mechanisms using the dual descriptor: a complementary tool to the molecular electrostatic potential
JI Martínez-Araya
Journal of Molecular Modeling 19, 2715-2722, 2013
532013
Energy and Chemical Force Profiles from the Marcus Equation
J Martínez, A Toro-Labbé
Chemical Physics Letters 392, 132-139, 2004
522004
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
512013
The reaction force. A scalar property to characterize reaction mechanisms
J Martínez, A Toro-Labbé
Journal of Mathematical Chemistry 45, 911-927, 2008
492008
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
482012
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
452006
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
412008
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
372013
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
352010
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
342007
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
332019
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
20*
A generalized operational formula based on total electronic densities to obtain 3D pictures of the dual descriptor to reveal nucleophilic and electrophilic sites accurately on …
JI Martínez‐Araya
Journal of Computational Chemistry 37 (25), 2279-2303, 2016
192016
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
172015
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
162013
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
152015
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20