Borazine: to be or not to be aromatic R Islas, E Chamorro, J Robles, T Heine, JC Santos, G Merino Structural Chemistry 18, 833-839, 2007 | 194 | 2007 |
Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds JOC Jiménez-Halla, E Matito, J Robles, M Solà Journal of Organometallic chemistry 691 (21), 4359-4366, 2006 | 180 | 2006 |
Nucleation and growth of cobalt onto different substrates: Part I. Underpotential deposition onto a gold electrode LH Mendoza-Huizar, J Robles, M Palomar-Pardavé Journal of Electroanalytical Chemistry 521 (1-2), 95-106, 2002 | 159 | 2002 |
Electronegativities, electron affinities, ionization potentials, and hardnesses of the elements within spin polarized density functional theory J Robles, LJ Bartolotti Journal of the American Chemical Society 106 (13), 3723-3727, 1984 | 139 | 1984 |
Nucleation and growth of cobalt onto different substrates: Part II. The upd-opd transition onto a gold electrode LH Mendoza-Huizar, J Robles, M Palomar-Pardavé Journal of Electroanalytical Chemistry 545, 39-45, 2003 | 113 | 2003 |
On the atomic kinetic energy functionals with full Weizsacker correction JL Gázquez, J Robles The Journal of Chemical Physics 76 (3), 1467-1472, 1982 | 110 | 1982 |
PHYSICAL CHEMISTRY OF MATERIALS: FROM NANOPARTICLES TO MACROMOLECULES-Conformation of Ethylhexanoate Stabilizer on the Surface of CdS Nanoparticles D Diaz, M Rivera, T Ni, JC Rodriguez, SE Castillo-Blum, D Nagesha, ... Journal of Physical Chemistry B-Condensed Phase 103 (45), 9854-9858, 1999 | 72* | 1999 |
CdS nanoparticles modified to chalcogen sites: new supramolecular complexes, butterfly bridging, and related optical effects T Ni, DK Nagesha, J Robles, NF Materer, S Müssig, NA Kotov Journal of the American Chemical Society 124 (15), 3980-3992, 2002 | 71 | 2002 |
Structural, electronic, and magnetic consequences of O-carbonyl vs O-alkoxy ester coordination in new dicopper complexes containing the Cu2 (μ-Cl) 2 core P Kapoor, A Pathak, R Kapoor, P Venugopalan, M Corbella, M Rodríguez, ... Inorganic chemistry 41 (23), 6153-6160, 2002 | 67 | 2002 |
Analysis of the effect of changing the a 0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical … J Poater, M Solà, M Duran, J Robles Physical Chemistry Chemical Physics 4 (5), 722-731, 2002 | 59 | 2002 |
Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts JOC JimÉnez‐halla, E Matito, L Blancafort, J Robles, M Solà Journal of computational chemistry 30 (16), 2764-2776, 2009 | 57 | 2009 |
Density-functional-theory softness kernel J Garza, J Robles Physical Review A 47 (4), 2680, 1993 | 56 | 1993 |
A Theoretical-Experimental Study on the Structure and Activity of Certain Quinolones and the Interaction of Their Cu (II)-Complexes on a DNA Model J Robles, J Martín-Polo, L Alvarez-Valtierra, L Hinojosa, G Mendoza-Díaz Metal-Based Drugs 7 (6), 301-311, 2000 | 50 | 2000 |
DFT and GEGA genetic algorithm optimized structures of Cunν (ν=±1,0,2; n=3-13) clusters G Guzmán-Ramírez, F Aguilera-Granja, J Robles The European Physical Journal D 57 (1), 49-60, 2010 | 48 | 2010 |
Synthesis of 3-tetrazolylmethyl-azepino [4, 5-b] indol-4-ones in two reaction steps:(Ugi-azide/N-acylation/SN 2)/free radical cyclization and docking studies to a 5-Ht 6 model RE Gordillo-Cruz, A Rentería-Gómez, A Islas-Jácome, CJ Cortes-García, ... Organic & biomolecular chemistry 11 (38), 6470-6476, 2013 | 46 | 2013 |
Coordination and Haptotropic Migration of Cr(CO)3 in Polycyclic Aromatic Hydrocarbons: The Effect of the Size and the Curvature of the Substrate JOC Jiménez-Halla, J Robles, M Solà The Journal of Physical Chemistry A 112 (6), 1202-1213, 2008 | 46 | 2008 |
Intramolecular haptotropic rearrangements of the tricarbonylchromium complex in small polycyclic aromatic hydrocarbons JOC Jimenez-Halla, J Robles, M Sola Organometallics 27 (20), 5230-5240, 2008 | 36 | 2008 |
Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies M Mujahid, P Yogeeswari, D Sriram, UMV Basavanag, E Díaz-Cervantes, ... RSC advances 5 (129), 106448-106460, 2015 | 33 | 2015 |
Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms G Guzmán-Ramírez, J Robles, A Vega, F Aguilera-Granja The Journal of chemical physics 134 (5), 2011 | 33 | 2011 |
Local hardness revisited: Definition and the spin‐polarized Kohn–Sham formulation of density functional theory J Garza, J Robles International journal of quantum chemistry 49 (3), 159-169, 1994 | 33 | 1994 |