General model for water monomer adsorption on close-packed transition and noble metal surfaces A Michaelides, VA Ranea, PL De Andres, DA King
Physical review letters 90 (21), 216102, 2003
465 2003 Water dimer diffusion on Pd {111} assisted by an H-bond donor-acceptor tunneling exchange VA Ranea, A Michaelides, R Ramírez, PL De Andres, JA Vergés, DA King
Physical review letters 92 (13), 136104, 2004
140 2004 DFT Investigation of Intermediate Steps in the Hydrolysis of α-Al2 O3 (0001) VA Ranea, I Carmichael, WF Schneider
The Journal of Physical Chemistry C 113 (6), 2149-2158, 2009
96 2009 DFT characterization of coverage dependent molecular water adsorption modes on α-Al2O3 (0 0 0 1) VA Ranea, WF Schneider, I Carmichael
Surface science 602 (1), 268-275, 2008
91 2008 Density functional theory study of the interaction of monomeric water with the Ag {111} surface VA Ranea, A Michaelides, R Ramirez, JA Verges, PL De Andres, DA King
Physical Review B 69 (20), 205411, 2004
70 2004 First-principles study of A Michaelides, VA Ranea, PL De Andres, DA King
Physical Review B 69 (7), 075409, 2004
49 2004 General adsorption model for H2S, H2Se, H2Te, NH3, PH3, AsH3 and SbH3 on the V2O5 (0 0 1) surface including the van der Waals interaction VA Ranea, PLD Quiña, NM Yalet
Chemical Physics Letters 720, 58-63, 2019
38 2019 Adsorption of H2O on the (001) plane of V2O5: chemisorption site identification VA Ranea, JL Vicente, EE Mola, P Arnal, H Thomas, L Gambaro
Surface Science 463 (2), 115-124, 2000
35 2000 The structure of the chiral Pt {531} surface: A combined LEED and DFT study SR Puisto, G Held, V Ranea, SJ Jenkins, EE Mola, DA King
The Journal of Physical Chemistry B 109 (47), 22456-22462, 2005
28 2005 A theoretical study of water chemisorption on the (001) plane of V2O5 VA Ranea, JL Vicente, EE Mola, RU Mananu
Surface Science 442 (3), 498-506, 1999
28 1999 Formation of sulfite-like species on Cr2O3 after SO2 chemisorption VA Ranea, SN Hernandez, S Medina, IM Irurzun, ID Coria, EE Mola
Surface science 605 (5-6), 489-493, 2011
26 2011 The structure of the bulk and the (001) surface of V2O5. A DFT+ U study VA Ranea, PLD Quiña
Materials Research Express 3 (8), 085005, 2016
17 2016 Potential energy surface of H2O on Al {111} and Rh {111} from theoretical methods VA Ranea
The Journal of chemical physics 137 (20), 2012
15 2012 NO adsorption and diffusion on unreconstructed Pt {1 0 0} surface. A density functional theory investigation VA Ranea, EA Bea, EE Mola, R Imbihl
Surface science 600 (13), 2663-2669, 2006
15 2006 Oxygen assisted H2O dissociation on the Pt {110}(1× 2) surface from first principles VA Ranea, EE Mola
Surface science 627, 42-48, 2014
14 2014 DFT Comparison of N ‐Nitrosodimethylamine Decomposition Pathways Over Ni and Pd VA Ranea, TJ Strathmann, JR Shapley, WF Schneider
ChemCatChem 3 (5), 898-903, 2011
12 2011 Underlayer chemisorption of C on Al (111) EE Mola, VA Ranea, JL Vicente
Surface Science 418 (2), 367-375, 1998
10 1998 A DFT+ U study of H2O adsorption on the V2O5 (0 0 1) surface including van der Waals interactions VA Ranea
Chemical Physics Letters 730, 171-178, 2019
8 2019 DFT determination of ammonia adsorption configurations on the Pt {1 0 0}–(1× 1) surface at low coverage OLC Bracho, VA Ranea, IM Irurzun, R Imbihl, EE Mola
Chemical Physics Letters 505 (1-3), 21-25, 2011
8 2011 Theoretical model of diatomic molecules interacting on a two-dimensional lattice EE Mola, V Ranea, JL Vicente
Physical Review E 60 (5), 5130, 1999
8 1999 