YALET, NAHUEL MORENO; QUIÑA, PABLO L. DAMMIG; RANEA, VÍCTOR A.

Electronic and magnetic properties of mono and bimetallic subnanometer clusters. A DFT research

Materials Today Communications; Año: 2023 vol. 34

MORENO YALET, NAHUEL; DAMMIG QUIÑA, PABLO L.; RANEA, VÍCTOR A.

A DFT study on the adsorption and dissociation of N-Nitrosodimethylamine on a Ni 8 nanocluster

JOURNAL OF MOLECULAR GRAPHICS & MODELLING.; Año: 2023 vol. 125

YALET, NAHUEL MORENO; RANEA, VÍCTOR A.

A DFT+U study on the adsorption of CO, H 2 S, PH 3 , CO 2 and SO 2 on the V 2 O 5 (001) surface with atomic Rh adsorbed.

SURFACE SCIENCE; Año: 2022 vol. 718

RANEA, VÍCTOR A.

Formation of SO 4 H 2 on the Pt{110}( 1 × 2 ) surface. A DFT study

SURFACE SCIENCE; Año: 2021 vol. 707

RANEA, VÍCTOR A.

Long structures of H2O molecules adsorbed on the V2O5(0 0 1) surface. A DFT + U study including van der Waals interactions

CHEMICAL PHYSICS LETTERS; Año: 2020 vol. 749

RANEA, VÍCTOR A.; DAMMIG QUIÑA, PABLO L.; YALET, NAHUEL MORENO

General adsorption model for H 2 S, H 2 Se, H 2 Te, NH 3 , PH 3 , AsH 3 and SbH 3 on the V 2 O 5 (0 0 1) surface including the van der Waals interaction

CHEMICAL PHYSICS LETTERS; Año: 2019 vol. 720 p. 58 - 63

RANEA, VÍCTOR A.

A DFT+U study of H2O adsorption on the V2O5(0 0 1) surface including van der Waals interactions

CHEMICAL PHYSICS LETTERS; Año: 2019 vol. 730 p. 171 - 178

VICTOR A. RANEA; PABLO L. DAMMIG QUIÑA; NAHUEL MORENO YALET

A DFT+U study, including the van der Waals interaction, on the adsorption of XO2 molecules on the V2O5 (001) surface (X= S, N, O, C)

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2018

VICTOR A. RANEA; PABLO L. DAMMIG QUIÑA

The structure of the bulk and the (001) surface of V2O5. A DFT+U study

Materials Research Express; Lugar: Bristol; Año: 2016 vol. 3 p. 8500501 - 8500511

VICTOR A. RANEA; P.L. DE ANDRÉS

Rotation assisted diffusion of water trimers on Pd{111}

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 648 p. 256 - 261

VICTOR A. RANEA

Dimethylamine formation from N-nitrosodimethylamine adsorbed on the Ni{111} surface from first principles

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2014 vol. 392 p. 157 - 163

VICTOR A. RANEA; EDUARDO E. MOLA

Oxygen assisted H2O dissociation on the Pt{110}(1x2) surface from first principles

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 627 p. 42 - 48

VICTOR A. RANEA

Potential energy surface of H2O on Al{111} and Rh{111} from theoretical methods

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2012 vol. 137 p. 204702 - 204702

O.L. CORTÉS BRACHO ; V.A. RANEA ; I.M. IRURZUN ; R. IMBIHL; E.E. MOLA

DFT determination of ammonia adsorption configurations on the Pt{100}–(1 x 1) surface at low coverage

CHEMICAL PHYSICS LETTERS; Año: 2011 vol. 505 p. 21 - 25

V. A. RANEA; T. J. STRATHMANN; J. R. SHAPLEY; W. F. SCHNEIDER

"DFT Comparison of N-Nitrosodimethylamine (NDMA) Decomposition Pathways Over Ni and Pd

CHEMCATCHEM; Año: 2011 vol. 3 p. 1 - 7

V.A. RANEA; S.N. HERNANDEZ; S. MEDINA ; I.M. IRURZUN ; I.D. CORIA ; E.E. MOLA

Formation of sulfite-like species on Cr2O3 after SO2 chemisorption

SURFACE SCIENCE; Año: 2011 vol. 605 p. 489 - 493

VICTOR A. RANEA, IAN CARMICHAEL AND WILLIAM F. SCHNEIDER

DFT Investigation of Intermediate Steps in the Hydrolysis of alfa-Al2O3(0001)

The Journal of Physical Chemistry C; Año: 2009 vol. 113 p. 2149 - 2158

VÍCTOR A. RANEA, WILLIAM F. SCHNEIDER, IAN CARMICHAEL

DFT characterization of coverage dependent molecular water adsorption modes on a-Al2O3(0001)

SURFACE SCIENCE; Año: 2007

VICTOR A. RANEA; EDGAR A. BEA; EDUARDO E. MOLA; RONALD IMBIHL

NO adsorption and diffusion on unreconstructed Pt{1 0 0} surface. A density functional theory investigation

SURFACE SCIENCE; Año: 2006 vol. 600 p. 2663 - 2669

S. R. PUISTO; G. HELD; V. RANEA; S. J. JENKINS,; E. E. MOLA; D. A. KING

The Structure of the Chiral Pt{531} Surface: A Combined LEED and DFT Study

JOURNAL OF PHYSICAL CHEMISTRY B; Año: 2005 vol. 109 p. 22456 - 22462

A.E. BEA; A.V. RANEA; I.M. IRURZUN; E.E. MOLA

Kinetics of immobile adsorption of linear molecules on a two-dimensional lattice

CHEMICAL PHYSICS LETTERS; Año: 2005 vol. 401 p. 342 - 346

I.M. IRURZUN; V.A. RANEA; E.E. MOLA

Branch counting probability approach to random sequential adsorption

CHEMICAL PHYSICS LETTERS; Año: 2005 vol. 408 p. 19 - 24

A. MICHAELIDES, V. A. RANEA, P. L. DE ANDRES, AND D. A. KING

First-principles study of H2O diffusion on a metal surface: H2O on Al{100‰}

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2004 vol. 69 p. 754091 - 754094

V. A. RANEA, A. MICHAELIDES, R. RAMıREZ, J. A. VERGES, P. L. DE ANDRES, AND D. A. KING

Density functional theory study of the interaction of monomeric water with the Agˆ{111‰} surface

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2004 vol. 69 p. 2054111 - 2054119

V. A. RANEA, A. MICHAELIDES, R. RAMıREZ, P. L. DE ANDRES, J. A. VERGES, AND D. A. KING

Water Dimer Diffusion on Pd{111} Assisted by an H-Bond Donor-Acceptor Tunneling Exchange

PHYSICAL REVIEW LETTERS; Año: 2004 vol. 92 p. 1361041 - 1361044

A. MICHAELIDES, V. A. RANEA, P. L. DE ANDRES, AND D. A. KING

General Model forWater Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces

PHYSICAL REVIEW LETTERS; Año: 2003 vol. 90 p. 61021 - 61024

V.A. RANEA, J.L. VICENTE, E.E. MOLA, P. ARNAL, H. THOMAS, L. GAMBARO

Adsorption of H2O on the (001) plane of V2O5: chemisorption site identification

SURFACE SCIENCE; Año: 2000 vol. 463 p. 115 - 124

E. E. MOLA, V. RANEA, AND J. L. VICENTE

Theoretical model of diatomic molecules interacting on a two-dimensional lattice

PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS; Año: 1999 vol. 60 p. 5130 - 5134

V.A. RANEA, J.L. VICENTE, E.E. MOLA, R. UYEWA MANANU

A theoretical study of water chemisorption on the (001) plane of V2O5

SURFACE SCIENCE; Año: 1999 vol. 442 p. 498 - 506

E.E. MOLA, V.A. RANEA, J.L. VICENTE

Underlayer chemisorption of C on Al(111)

SURFACE SCIENCE; Año: 1998 vol. 418 p. 367 - 375