José R. B. Gomes
José R. B. Gomes
CICECO, Departamento de Química, Universidade de Aveiro
Verified email at ua.pt
Title
Cited by
Cited by
Year
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
1442014
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
1232013
“Recycling” classical drugs for malaria
C Teixeira, N Vale, B Perez, A Gomes, JRB Gomes, P Gomes
Chemical reviews 114 (22), 11164-11220, 2014
1072014
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
982004
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
972009
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
952011
A DFT study of the methanol oxidation catalyzed by a copper surface
JRB Gomes, J Gomes
Surface science 471 (1-3), 59-70, 2001
912001
Effect of the exchange-correlation potential and of surface relaxation on the description of the dissociation on Cu(111)
JLC Fajín, F Illas, JRB Gomes
The Journal of chemical physics 130 (22), 224702, 2009
892009
Density functional theory study of the water dissociation on platinum surfaces: general trends
JLC Fajín, MN DS Cordeiro, JRB Gomes
The Journal of Physical Chemistry A 118 (31), 5832-5840, 2014
842014
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
822010
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), 124710, 2008
812008
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
742011
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
702012
DFT Study of the CO Oxidation on the Au (321) Surface
JLC Fajin, MNDS Cordeiro, JRB Gomes
The Journal of Physical Chemistry C 112 (44), 17291-17302, 2008
692008
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
672013
Adsorption of atomic and molecular oxygen on the Au (321) surface: DFT study
JLC Fajín, MNDS Cordeiro, JRB Gomes
The Journal of Physical Chemistry C 111 (46), 17311-17321, 2007
672007
Interaction of Pd with  A case study of modeling the metal-oxide interface on complex substrates
JRB Gomes, F Illas, NC Hernández, A Márquez, JF Sanz
Physical Review B 65 (12), 125414, 2002
662002
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
652017
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
642014
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
642013
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Articles 1–20