| AIM-UC: An application for QTAIM analysis D Vega, D Almeida Journal of Computational Methods in Science and Engineering 14 (1-3), 131-136, 2014 | 104 | 2014 |
| 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 |
| 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 |
| 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, ENR Arias Angewandte Chemie International Edition 39 (21), 3810-3813, 2000 | 36 | 2000 |
| 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 |
| 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 DSC Yosslen Aray, Alba Beatriz Vidal, Jesus Rodriguez, Maria Elena Grillo ... 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. SC Yosslen Aray, David Vega, Jesus Rodriguez, Alba B Vidal, Maria Elena Grillo The Journal of Physical Chemistry B 113 (10), 3058-70, 2009 | 24 | 2009 |
| Adsorption of thiophene on the RuS2 (100) and (111) surfaces: A Laplacian of the electronic charge density study Y Aray, J Rodríguez, D Vega, S Coll, EN Rodríguez-Arias, F Rosillo The Journal of Physical Chemistry B 106 (51), 13242-13249, 2002 | 22 | 2002 |
| Theoretical study of the CO adsorption on the (100) surface of the face-centered cubic d-block transition metals Y Aray, J Rodriguez, J Rivero, D Vega Surface science 441 (2), 344-350, 1999 | 20 | 1999 |
| Laplacian of the Electronic Charge Density and Heat of Adsorption of O2 and CO Molecules on 3d Transition Metals Y Aray, J Rodriguez, D Vega The Journal of Physical Chemistry B 104 (22), 5225-5231, 2000 | 12 | 2000 |
| A Fast and Memory-Saving Marching Cubes 33 Implementation with the Correct Interior Test D Vega M., J Abache R., D Coll G. Journal of Computer Graphics Techniques (JCGT) 8 (3), 1-18, 2019 | 8 | 2019 |
| C library for topological study of the electronic charge density D Vega, Y Aray, J Rodríguez Journal of Computational Chemistry 33 (31), 2526-2531, 2012 | 8 | 2012 |
| Chap. 9 in The Quantum Theory of Atoms in Molecules: From DNA to Solid and Drug Design, edited by CF Matta and RJ Boyd Y Aray, J Rodriguez, D Vega Wiley-VCH, Weinheim, 2006 | 8 | 2006 |
| Estudio teórico de la interacción de la piridina con el agregado Pd2H2NiS8 EN Rodríguez-Arias, AG Acosta-Urdaneta, CV Liendo-Barandiaran, ... Revista Cubana de Química 20 (1), 43-46, 2008 | 7 | 2008 |
| Atoms in Molecules Theory for exploring the crystal structure and bond nature of the MoS2 bulk Y Aray, D Vega, J Rodriguez, AB Vidal, DS Coll Journal of Computational Methods in Sciences and Engineering 9 (4-6), 257-267, 2009 | 5 | 2009 |
| EFECTO DE LOS PROMOTORES METÁLICOS EN LA REACCIÓN DE HDN. INTERACCIÓN DE PIRIDINA CON EL COMPLEJO PD2H2WS8 EN Rodríguez-Arias, AG Acosta-Urdaneta, CV Liendo-Barandiaran, ... Revista Cubana de Química 20 (1), 39-42, 2008 | 5 | 2008 |
| First-principles study of the nature of small nickel sulfide particles Y Aray, AB Vidal, DS Coll, J Rodriguez, D Vega Journal of Computational Methods in Sciences and Engineering 9 (4-6), 301-312, 2009 | 3 | 2009 |
| ZUSCHRIFTEN-Correlation of the Topology of the Electron Density of Pyrite-Type Transition Metal Sulfides with Their Catalytic Activity in Hydrodesulfurization Stichworter … Y Aray, J Rodriguez, D Vega, EN Rodriguez-Arias Angewandte Chemie-German Edition 112 (21), 3968-3970, 2000 | 3 | 2000 |
| Atoms in Molecules Theory for Exploring the Nature of the Active Sites on Surfaces Y Aray, J Rodríguez, D Vega The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug …, 2007 | 2 | 2007 |
