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
1192014
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
1022013
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
902004
A DFT study of the methanol oxidation catalyzed by a copper surface
JRB Gomes, J Gomes
Surface science 471 (1-3), 59-70, 2001
862001
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
832009
“Recycling” classical drugs for malaria
C Teixeira, N Vale, B Pérez, A Gomes, JRB Gomes, P Gomes
Chemical reviews 114 (22), 11164-11220, 2014
812014
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
812009
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
792011
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
742010
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
692008
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
682011
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
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
642012
Adsorption of the formate species on copper surfaces: a DFT study
JRB Gomes, J Gomes
Surface science 432 (3), 279-290, 1999
641999
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
632014
DFT Study of the CO Oxidation on the Au (321) Surface
JLC Fajín, MNDS Cordeiro, JRB Gomes
The Journal of Physical Chemistry C 112 (44), 17291-17302, 2008
632008
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
632007
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
572013
Solvent and Structural Effects in the N− H Bond Homolytic Dissociation Energy
JRB Gomes, MDMC Ribeiro da Silva, MAV Ribeiro da Silva
The Journal of Physical Chemistry A 108 (11), 2119-2130, 2004
572004
The structural relaxation of the α-Al2O3 (0 0 0 1)–an investigation of potential errors
JRB Gomes, I de PR Moreira, P Reinhardt, A Wander, BG Searle, ...
Chemical physics letters 341 (5-6), 412-418, 2001
572001
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Articles 1–20