Oxidation and photo-oxidation of water on TiO2 surface A Valdes, ZW Qu, GJ Kroes, J Rossmeisl, JK Nørskov
The Journal of Physical Chemistry C 112, 9872, 2008
733 2008 Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory A Valdes, J Brillet, M Grätzel, H Gudmundsdottir, HA Hansen, H Jonsson, ...
Physical Chemistry Chemical Physics 14 (1), 49-70, 2012
262 2012 First principles study of the photo-oxidation of water on tungsten trioxide (WO3) A Valdes, GJ Kroes
The Journal of chemical physics 130 (11), 2009
130 2009 Cluster Study of the Photo-Oxidation of Water on Rutile Titanium Dioxide (TiO2 ) Á Valdés, GJ Kroes
The Journal of Physical Chemistry C 114 (3), 1701-1708, 2010
84 2010 HeBr2 complex: ground-state potential and vibrational dynamics from ab initio calculations Á Valdés*, R Prosmiti, P Villarreal, G Delgado-Barrio
Molecular Physics 102 (21-22), 2277-2283, 2004
50 2004 Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex Á Valdés, R Prosmiti, P Villarreal, G Delgado-Barrio
The Journal of chemical physics 122, 044305, 2005
47 2005 A theoretical study of He2ICl van der Waals cluster Á Valdés, R Prosmiti, P Villarreal, G Delgado-Barrio
The Journal of chemical physics 125, 014313, 2006
44 2006 Three-dimensional ab initio potential and ground state dynamics of the HeI2 complex R Prosmiti, Á Valdés, P Villarreal, G Delgado-Barrio
The Journal of Physical Chemistry A 108 (28), 6065-6071, 2004
44 2004 Ab initio potential energy surface and spectrum of the B (3Π) state of the HeI2 complex Á Valdés, R Prosmiti, P Villarreal, G Delgado Barrio, HJ Werner
The Journal of Chemical Physics 126, 204301, 2007
43 2007 Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH 4 on Ni (111): a 15 dimensional study KG Prasanna, RA Olsen, Á Valdés, GJ Kroes
Physical Chemistry Chemical Physics 12 (27), 7654-7661, 2010
42 2010 Intermolecular Ab Initio Potential and Spectroscopy of the Ground State of HeI2 Complex Revisited L Garcia-Gutierrez, L Delgado-Tellez, A Valdes, R Prosmiti, P Villarreal, ...
The Journal of Physical Chemistry A 113 (19), 5754-5762, 2009
40 2009 Quantum dynamics of carbon dioxide encapsulated in the cages of the si clathrate hydrate: Structural guest distributions and cage occupation A Valdes, DJ Arismendi-Arrieta, R Prosmiti
The Journal of Physical Chemistry C 119 (8), 3945-3956, 2015
36 2015 Ab initio vibrational predissociation dynamics of He-I2 (B) complex Á Valdés, R Prosmiti, P Villarreal, G Delgado Barrio, D Lemoine, B Lepetit
The Journal of Chemical Physics 126, 244314, 2007
36 2007 Quantum-dynamics study of the Á Valdés, R Prosmiti, G Delgado-Barrio
The Journal of Chemical Physics 136 (10), 2012
33 2012 Vibrational dynamics of the H5+ and its isotopologues from multiconfiguration time-dependent Hartree calculations Á Valdés, R Prosmiti, G Delgado Barrio
The Journal of Chemical Physics 137, 214308, 2012
32 2012 CCSD (T) potential energy surface and bound rovibrational level calculations for the Ar–ICl (X) complex Á Valdés, R Prosmiti, P Villarreal, G Delgado-Barrio
Chemical physics letters 375 (3-4), 328-336, 2003
32 2003 Theoretical Investigation of the Infrared Spectra of the H5+ and D5+ Cations A Valdes de Luxan, R Prosmiti
The Journal of Physical Chemistry A, 2013
29 2013 Infrared spectrum of H C Sanz-Sanz, O Roncero, A Valdés, R Prosmiti, G Delgado-Barrio, ...
Physical Review A—Atomic, Molecular, and Optical Physics 84 (6), 060502, 2011
29 2011 Encapsulation of a Water Molecule inside C60 Fullerene: The Impact of Confinement on Quantum Features O Carrillo-Bohórquez, Á Valdés, R Prosmiti
Journal of Chemical Theory and Computation 17 (9), 5839-5848, 2021
27 2021 A Systematic Protocol for Benchmarking Guest–Host Interactions by First‐Principles Computations: Capturing CO2 in Clathrate Hydrates DJ Arismendi‐Arrieta, Á Valdés, R Prosmiti
Chemistry–A European Journal 24 (37), 9353-9363, 2018
27 2018 
Rita ProsmitiInstitute of Fundamendal Physics, CSICiff.csic.es üzerinde doğrulanmış e-posta adresine sahip