| Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis F Vines, JRB Gomes, F Illas Chemical Society Reviews 43 (14), 4922-4939, 2014 | 186 | 2014 |
| Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples JPP Ramalho, JRB Gomes, F Illas RSC advances 3 (32), 13085-13100, 2013 | 154 | 2013 |
| “Recycling” classical drugs for malaria C Teixeira, N Vale, B Perez, A Gomes, JRB Gomes, P Gomes Chemical reviews 114 (22), 11164-11220, 2014 | 146 | 2014 |
| Density functional theory study of the water dissociation on platinum surfaces: general trends JLC Fajin, MN DS Cordeiro, JRB Gomes The Journal of Physical Chemistry A 118 (31), 5832-5840, 2014 | 129 | 2014 |
| Structure of Chemisorbed CO2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling L Mafra, T Cendak, S Schneider, PV Wiper, J Pires, JRB Gomes, ML Pinto Journal of the American Chemical Society 139 (1), 389-408, 2017 | 124 | 2017 |
| MXenes as promising catalysts for water dissociation JD Gouveia, Á Morales-García, F Vines, F Illas, JRB Gomes Applied Catalysis B: Environmental 260, 118191, 2020 | 114 | 2020 |
| Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper JLC Fajín, MNDS Cordeiro, F Illas, JRB Gomes Journal of Catalysis 268 (1), 131-141, 2009 | 114 | 2009 |
| Theoretical study of bulk and surface oxygen and aluminum vacancies in α− Al 2 O 3 J Carrasco, JRB Gomes, F Illas Physical Review B 69 (6), 064116, 2004 | 106 | 2004 |
| Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: brief overview one quarter of a century past the approval of zidovudine, the first anti … C Teixeira, JRB Gomes, P Gomes, F Maurel European journal of medicinal chemistry 46 (4), 979-992, 2011 | 105 | 2011 |
| Descriptors controlling the catalytic activity of metallic surfaces toward water splitting JLC Fajín, MNDS Cordeiro, F Illas, JRB Gomes Journal of Catalysis 276 (1), 92-100, 2010 | 105 | 2010 |
| Salting-in with a salting-out agent: explaining the cation specific effects on the aqueous solubility of amino acids LIN Tomé, SP Pinho, M Jorge, JRB Gomes, JAP Coutinho The Journal of Physical Chemistry B 117 (20), 6116-6128, 2013 | 101 | 2013 |
| A DFT study of the methanol oxidation catalyzed by a copper surface JRB Gomes, J Gomes Surface science 471 (1-3), 59-70, 2001 | 98 | 2001 |
| Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO (001) R Valero, JRB Gomes, DG Truhlar, F Illas The Journal of chemical physics 129 (12), 2008 | 97 | 2008 |
| Novel insights into biomass delignification with acidic deep eutectic solvents: a mechanistic study of β-O-4 ether bond cleavage and the role of the halide counterion in the … AM da Costa Lopes, JRB Gomes, JAP Coutinho, AJD Silvestre Green chemistry 22 (8), 2474-2487, 2020 | 96 | 2020 |
| Falcipains, Plasmodium falciparum cysteine proteases as key drug targets against malaria C Teixeira, J RB Gomes, P Gomes Current Medicinal Chemistry 18 (10), 1555-1572, 2011 | 96 | 2011 |
| Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu (111) JLC Fajín, F Illas, JRB Gomes The Journal of chemical physics 130 (22), 2009 | 96 | 2009 |
| Modeling adsorption in metal–organic frameworks with open metal sites: propane/propylene separations M Fischer, JRB Gomes, M Fröba, M Jorge Langmuir 28 (22), 8537-8549, 2012 | 93 | 2012 |
| Computational approaches to study adsorption in MOFs with unsaturated metal sites M Fischer, JRB Gomes, M Jorge Molecular Simulation 40 (7-9), 537-556, 2014 | 90 | 2014 |
| Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and why L Mafra, T Čendak, S Schneider, PV Wiper, J Pires, JRB Gomes, ML Pinto Chemical Engineering Journal 336, 612-621, 2018 | 89 | 2018 |
| N-cinnamoylated chloroquine analogues as dual-stage antimalarial leads BC Pérez, C Teixeira, IS Albuquerque, J Gut, PJ Rosenthal, JRB Gomes, ... Journal of Medicinal Chemistry 56 (2), 556-567, 2013 | 84 | 2013 |
Francesc IllasDepartament de Ciència de Materials i Química Fisica & IQTCUB, Universitat de Barcelona在 ub.edu 的电子邮件经过验证
