| Molecular recognition and molecular mechanics of micelles of some model asphaltenes and resins J Murgich, Rodríguez, Y Aray Energy & fuels 10 (1), 68-76, 1996 | 386 | 1996 |
| Coverage effects and the nature of the metal− sulfur bond in S/Au (111): high-resolution photoemission and density-functional studies JA Rodriguez, J Dvorak, T Jirsak, G Liu, J Hrbek, Y Aray, C González Journal of the American Chemical Society 125 (1), 276-285, 2003 | 233 | 2003 |
| Structural homeomorphism between the electron density and the virial field TA Keith, RFW Bader, Y Aray International journal of quantum chemistry 57 (2), 183-198, 1996 | 225 | 1996 |
| Stability of intermediates in the glycerol hydrogenolysis on transition metal catalysts from first principles D Coll, F Delbecq, Y Aray, P Sautet Physical Chemistry Chemical Physics 13 (4), 1448-1456, 2011 | 93 | 2011 |
| Electrostatics for exploring the nature of the hydrogen bonding in polyethylene oxide hydration Y Aray, M Marquez, J Rodríguez, D Vega, Y Simon-Manso, S Coll, ... The Journal of Physical Chemistry B 108 (7), 2418-2424, 2004 | 71 | 2004 |
| Exploring the structure–solubility relationship of asphaltene models in toluene, heptane, and amphiphiles using a molecular dynamic atomistic methodology Y Aray, R Hernández-Bravo, JG Parra, J Rodríguez, DS Coll The Journal of Physical Chemistry A 115 (42), 11495-11507, 2011 | 66 | 2011 |
| Diagnóstico y tratamiento de las enfermedades metabólicas hereditarias PS Crespo, AB Vázquez Ergon, 2009 | 55 | 2009 |
| Topology of the electron density and cohesive energy of the face-centered cubic transition metals Y Aray, J Rodriguez, D Vega The Journal of Physical Chemistry B 104 (19), 4608-4612, 2000 | 53 | 2000 |
| Electrostatics for exploring the nature of water adsorption on the laponite sheets' surface Y Aray, M Marquez, J Rodríguez, S Coll, Y Simon-Manso, C Gonzalez, ... The Journal of Physical Chemistry B 107 (34), 8946-8952, 2003 | 48 | 2003 |
| Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density Y Aray, RFW Bader Surface science 351 (1-3), 233-249, 1996 | 44 | 1996 |
| Molecular interactions between Orinoco belt resins O Castellano, R Gimon, C Canelon, Y Aray, H Soscun Energy & fuels 26 (5), 2711-2720, 2012 | 41 | 2012 |
| Correlation of the Topology of the Electron Density of Pyrite‐Type Transition Metal Sulfides with Their Catalytic Activity in Hydrodesulfurization Y Aray, J Rodriguez, D Vega, EN Rodriguez‐Arias Angewandte Chemie International Edition 39 (21), 3810-3813, 2000 | 36 | 2000 |
| Mo ab initio MCSCF calculation of the charge topology in the H abstraction from CH4 by MgO and LiO molecules Y Aray, J Rodriguez, F Ruette Journal of physical chemistry (1952) 97 (32), 8393-8398, 1993 | 36 | 1993 |
| Nature of the Lewis acid sites on molybdenum and ruthenium sulfides: An electrostatic potential study Y Aray, J Rodríguez, S Coll, EN Rodríguez-Arias, D Vega The Journal of Physical Chemistry B 109 (49), 23564-23570, 2005 | 35 | 2005 |
| A numerical method for the topological analysis of the laplacian of the electronic charge density in molecules and solids Y Aray, J Rodríguez, R Lopez-Boada The Journal of Physical Chemistry A 101 (11), 2178-2184, 1997 | 28 | 1997 |
| Nature of the NiMoS catalyst edge sites: An atom in molecules theory and electrostatic potential studies Y Aray, J Rodríguez, AB Vidal, S Coll Journal of Molecular Catalysis A: Chemical 271 (1-2), 105-116, 2007 | 26 | 2007 |
| An implementation of the atoms in molecules theory to the FPLAPW method Y Aray, J Rodriguez, D Vega Computer physics communications 143 (3), 199-212, 2002 | 26 | 2002 |
| First Principles Study of Low Miller Index RuS2 Surfaces in Hydrotreating Conditions Y Aray, AB Vidal, J Rodriguez, ME Grillo, D Vega, DS Coll The Journal of Physical Chemistry C 113 (45), 19545-19557, 2009 | 25 | 2009 |
| First-Principles Study of Low Miller Index Ni3S2 Surfaces in Hydrotreating Conditions Y Aray, D Vega, J Rodriguez, AB Vidal, ME Grillo, S Coll The Journal of Physical Chemistry B 113 (10), 3058-3070, 2009 | 24 | 2009 |
| 1 4N nuclear quadrupole resonance and ab initio MO study of organic azides J Murgich, Y Aray The Journal of chemical physics 87 (6), 3580-3586, 1987 | 24 | 1987 |
David Santiago CollInstituto Venezolano de Investigaciones CientificasVerified email at ivic.gob.ve
