עקוב אחר
Jorge Ignacio Martínez-Araya
Jorge Ignacio Martínez-Araya
Associate Professor (UNAB)
כתובת אימייל מאומתת בדומיין uc.cl - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
4722009
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
2072015
Local Reactivity Descriptors from Degenerate Frontier Molecular Orbitals‏
J Martínez‏
Chemical Physics Letters 478, 310-322, 2009‏
1052009
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
962010
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
542013
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
542013
Energy and Chemical Force Profiles from the Marcus Equation‏
J Martínez, A Toro-Labbé‏
Chemical Physics Letters 392, 132-139, 2004‏
532004
The reaction force. A scalar property to characterize reaction mechanisms‏
J Martínez, A Toro-Labbé‏
Journal of Mathematical Chemistry 45, 911-927, 2008‏
522008
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
482006
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
422019
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
402008
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 (1), 850297, 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
362010
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
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
22*
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
212016
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
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial–equatorial decomposition: a DFT study‏
D Yepes, P Jaque, JI Martínez-Araya‏
Physical Chemistry Chemical Physics 21 (30), 16601-16614, 2019‏
152019
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מאמרים 1–20