Theo dõi
José R. B. Gomes
José R. B. Gomes
CICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro
Email được xác minh tại ua.pt
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
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
1862014
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
1562013
“Recycling” classical drugs for malaria
C Teixeira, N Vale, B Perez, A Gomes, JRB Gomes, P Gomes
Chemical reviews 114 (22), 11164-11220, 2014
1432014
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
1282014
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
1232017
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
1142009
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
1082020
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
1062004
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
1052011
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
1042010
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
1002013
A DFT study of the methanol oxidation catalyzed by a copper surface
JRB Gomes, J Gomes
Surface science 471 (1-3), 59-70, 2001
1002001
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
972009
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
972008
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
952011
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
942020
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
932012
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
882018
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
882014
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
832013
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