Trends in the structure and bonding of noble metal clusters EM Fernández, JM Soler, IL Garzón, LC Balbás Physical Review B 70 (16), 165403, 2004 | 579 | 2004 |
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 | 273 | 2008 |
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 | 261 | 2011 |
Theoretical study of structural, electronic, and magnetic properties of clusters (, Ti, V, Cr, Mn, Fe, Au; ) MB Torres, EM Fernández, LC Balbás Physical Review B 71 (15), 155412, 2005 | 136 | 2005 |
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 | 131 | 1996 |
Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations EM Fernández, JM Soler, LC Balbás Physical Review B 73 (23), 235433, 2006 | 115 | 2006 |
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 | 103 | 2005 |
Theoretical study of isoelectronic clusters (; ) MB Torres, EM Fernández, LC Balbás Physical Review B 75 (20), 205425, 2007 | 93 | 2007 |
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 | 56 | 2007 |
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 | 54 | 2008 |
Structural properties of bimetallic clusters from density functional calculations EM Fernandez, LC Balbas, LA Pérez, K Michaelian, IL Garzón International Journal of Modern Physics B 19 (15n17), 2339-2344, 2005 | 35 | 2005 |
Trends in hydrodesulfurization catalysis based on realistic surface models PG Moses, LC Grabow, EM Fernandez, B Hinnemann, H Topsøe, ... Catalysis letters 144 (8), 1425-1432, 2014 | 33 | 2014 |
Comparative study of the surface layer density of liquid surfaces E Chacón, EM Fernández, D Duque, R Delgado-Buscalioni, P Tarazona Physical Review B 80 (19), 195403, 2009 | 30 | 2009 |
Study of the Structural and Electronic Properties of [Ti@Si16]n, [Sc@Si16K]n, and [V@Si16F]n (n ≤ 9) Aggregates from First Principles MB Torres, EM Fernández, LC Balbás The Journal of Physical Chemistry C 115 (2), 335-350, 2011 | 28 | 2011 |
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 |
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 | 27 | 2011 |
Intrinsic fluid interfaces and nonlocality EM Fernández, E Chacón, P Tarazona, AO Parry, C Rascón Physical review letters 111 (9), 096104, 2013 | 26 | 2013 |
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 | 19 | 2017 |
Trends in the bonding of the first‐row transition metal compounds: V(001) surface, TM‐oxide and nitride molecules, and AunTi (2≤n≤7) clusters EM Fernández, MB Torres, LC Balbás International journal of quantum chemistry 99 (1), 39-46, 2004 | 19 | 2004 |
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 | 18 | 2011 |