Trends in the structure and bonding of noble metal clusters EM Fernández, JM Soler, IL Garzón, LC Balbás
Physical Review B—Condensed Matter and Materials Physics 70 (16), 165403, 2004
656 2004 Universal transition state scaling relations for (de) hydrogenation over transition metals S Wang, V Petzold, V Tripkovic, J Kleis, JG Howalt, E Skulason, ...
Physical Chemistry Chemical Physics 13 (46), 20760-20765, 2011
459 2011 Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces EM Fernández, PG Moses, A Toftelund, HA Hansen, JI Martínez, ...
Angewandte Chemie International Edition 47 (25), 4683-4686, 2008
389 2008 An investigation of rooting depth of the semiarid shrub Retama sphaerocarpa (L.) Boiss. by labelling of ground water with a chemical tracer P Haase, FI Pugnaire, EM Fernández, J Puigdefábregas, SC Clark, ...
Journal of Hydrology 177 (1-2), 23-31, 1996
151 1996 Theoretical study of structural, electronic, and magnetic properties of MB Torres, EM Fernández, LC Balbás
Physical Review B—Condensed Matter and Materials Physics 71 (15), 155412, 2005
149 2005 Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations EM Fernández, JM Soler, LC Balbás
Physical Review B—Condensed Matter and Materials Physics 73 (23), 235433, 2006
129 2006 Theoretical study of isoelectronic MB Torres, EM Fernández, LC Balbás
Physical Review B—Condensed Matter and Materials Physics 75 (20), 205425, 2007
114 2007 Theoretical study of O2 and CO adsorption on Aun clusters (n= 5–10) EM Fernández, P Ordejón, LC Balbás
Chemical physics letters 408 (4-6), 252-257, 2005
112 2005 Theoretical Study of Oxygen Adsorption on Pure Aun +1+ and Doped MAun + Cationic Gold Clusters for M = Ti, Fe and n = 3−7 MB Torres, EM Fernandez, LC Balbas
The Journal of Physical Chemistry A 112 (29), 6678-6689, 2008
67 2008 Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates EM Fernandez, RI Eglitis, G Borstel, LC Balbas
Computational materials science 39 (3), 587-592, 2007
65 2007 Structural properties of bimetallic clusters from density functional calculations EM Fernández, LC Balbás, LA Pérez, K Michaelian, IL Garzón
International Journal of Modern Physics B 19 (15n17), 2339-2344, 2005
48 2005 Trends in hydrodesulfurization catalysis based on realistic surface models PG Moses, LC Grabow, EM Fernandez, B Hinnemann, H Topsøe, ...
Catalysis letters 144, 1425-1432, 2014
41 2014 Size Dependent H2 Adsorption on Aln + (n = 1–12) Clusters M Jia, J Vanbuel, P Ferrari, EM Fernández, S Gewinner, W Schöllkopf, ...
The Journal of Physical Chemistry C 122 (32), 18247-18255, 2018
36 2018 Comparative study of the surface layer density of liquid surfaces E Chacón, EM Fernández, D Duque, R Delgado-Buscalioni, P Tarazona
Physical Review B—Condensed Matter and Materials Physics 80 (19), 195403, 2009
35 2009 GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties EM Fernandez, LC Balbas
Physical Chemistry Chemical Physics 13 (46), 20863-20870, 2011
33 2011 Hydrogen Chemisorption on Singly Vanadium‐Doped Aluminum Clusters J Vanbuel, EM Fernández, P Ferrari, S Gewinner, W Schöllkopf, ...
Chemistry–A European Journal 23 (62), 15638-15643, 2017
31 2017 Study of the Structural and Electronic Properties of [Ti@Si16 ]n 16 K]n 16 F]n n ≤ 9) Aggregates from First Principles MB Torres, EM Fernández, LC Balbás
The Journal of Physical Chemistry C 115 (2), 335-350, 2011
31 2011 Intrinsic fluid interfaces and nonlocality EM Fernández, E Chacón, P Tarazona, AO Parry, C Rascón
Physical Review Letters 111 (9), 096104, 2013
30 2013 Trends in the structure and bonding of neutral and charged noble metal clusters EM Fernández, JM Soler, IL Garzón, LC Balbás
International journal of quantum chemistry 101 (6), 740-745, 2005
28 2005 Theoretical study of the structural and electronic properties of aggregates, wires, and bulk phases formed from M@Si16 superatoms (M = Sc− , Ti, V+ ) MB Torres, EM Fernández, LC Balbás
International Journal of Quantum Chemistry 111 (2), 444-462, 2011
22 2011 