Estudio teórico de la desorción de Na y K de SiO 2 estimulada por la acción de fotones o electrones
T. E. Madey , D. Domínguez Ariza , G. Pacchioni , N. López
1<SUP>er</SUP> Congreso Nacional de Astrofísica Molecular: Una visión general del potencial de los grupos de química españoles anters los nuevos desafíos de la Astrofísica 57
2003
Study of the Heterometallic Bond Nature in PdCu(111) Surfaces
M. Fernández-García , J. C. Conesa , A. Clotet , J. M. Ricart
Journal of Physical Chemistry B 102 ( 1) 141 -147
41
1998
NH3 sensing with self-assembled ZnO-nanowire μHP sensors in isothermal and temperature-pulsed mode
F. Shao , J.D. Fan , F. Hernández-Ramírez , C. Fàbrega
Sensors and Actuators B-chemical 226 110 -117
22
2016
Glycerol oxidehydration to pyruvaldehyde over silver-based catalysts for improved lactic acid production
G. M. Lari , R. García-Muelas , C. Mondelli , N. López
Green Chemistry 18 ( 17) 4682 -4692
42
2016
Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning
A. J. Saadun , S. Pablo-García , V. Paunović , Q. Li
ACS Catalysis 10 ( 11) 6129 -6143
7
2020
A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization
M. Rellán-Piñeiro , M. Garcia-Ratés , N. López
Green Chemistry 19 ( 24) 5932 -5939
14
2017
Tailoring the framework composition of carbon nitride to improve the catalytic efficiency of the stabilised palladium atoms
E. Vorobyeva , Z. Chen , S. Mitchell , R. K. Leary
Journal of Materials Chemistry 5 ( 31) 16393 -16403
81
2017
The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols
J. Jover , M. García-Ratés , N. López
ACS Catalysis 6 ( 7) 4135 -4143
33
2016
A density functional theory study of the 'mythic' Lindlar hydrogenation catalyst
M. García-Mota , J. Gómez-Díaz , G. Novell-Leruth , C. Vargas-Fuentes
Theoretical Chemistry Accounts 128 ( 4) 663 -673
149
2011
Adsorption energy and spin state of first-row transition metals adsorbed on MgO(100)
A. Markovits , J. C. Paniagua , N. López , C. Minot
Physical Review B 67 ( 11) 115417
60
2003
Quantitative analysis of CO-humidity gas mixtures with self-heated nanowires operated in pulsed mode
J. D. Prades , F. Hernández-Ramírez , T. Fischer , M. Hoffmann
Applied Physics Letters 97 ( 24) 243105
24
2010
Mechanism of ethylene oxychlorination over ruthenium oxide
M.D. Higham , M. Scharfe , M. Capdevila-Cortada , J. Pérez-Ramírez
Journal of Catalysis 353 171 -180
7
2017
Mechanism and microkinetics of methanol synthesis via CO2 hydrogenation on indium oxide
M.S. Frei , M. Capdevila-Cortada , R. García-Muelas , C. Mondelli
Journal of Catalysis 361 313 -321
191
2018
The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)
A. Markovits , M. K. Skalli , C. Minot , G. Pacchioni
Journal of Chemical Physics 115 ( 17) 8172 -8177
61
2001
Ab initio cluster model approach to the chemisorption of NH3 on Pt(111)
M. Garcı́a-Hernández , N. López , I.de P.R. Moreira , J.C. Paniagua
Surface Science 430 ( 1) 18 -28
38
1999
The extent of relaxation of the α-Al2O3 (0001) surface and the reliability of empirical potentials
R. Baxter , P. Reinhardt , N. López , F. Illas
Surface Science 445 ( 2) 448 -460
39
2000
Theoretical Study of NH3 Chemisorption on Pt(111)
F. Illas , N. López , M. Garcı́a-Hernández , I. de P.R. Moreira
Journal of Molecular Structure-theochem 458 ( 1) 93 -98
22
1998
Interaction of CO and NO with PdCu(111) Surfaces
F. Illas , N. López , J. M. Ricart , A. Clotet
Journal of Physical Chemistry B 102 ( 41) 8017 -8023
70
1998
Simultaneous CO and humidity quantification with self-heated nanowires in pulsed mode
J.D. Prades , F. Hernández-Ramírez , T. Fischer , M. Hoffmann
Procedia Engineering 25 1485 -1488
1
2011
Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform
M. Álvarez-Moreno , C. de Graaf , N. López , F. Maseras
Journal of Chemical Information and Modeling 55 ( 1) 95 -103
381
2015