Lourdes Gracia Edo
Lourdes Gracia Edo
Universitat de València. Dpt. Química Física
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Density functional theory study of the brookite surfaces and phase transitions between natural titania polymorphs
A Beltran, L Gracia, J Andres
The Journal of Physical Chemistry B 110 (46), 23417-23423, 2006
1382006
Toward an Understanding of the Growth of Ag Filaments on α-Ag2WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study
E Longo, DP Volanti, VM Longo, L Gracia, IC Nogueira, MAP Almeida, ...
The Journal of Physical Chemistry C 118 (2), 1229-1239, 2014
1012014
Facet-dependent photocatalytic and antibacterial properties of α-Ag 2 WO 4 crystals: combining experimental data and theoretical insights
RA Roca, JC Sczancoski, IC Nogueira, MT Fabbro, HC Alves, L Gracia, ...
Catalysis Science & Technology 5 (8), 4091-4107, 2015
912015
Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag2WO4 induced by electron irradiation
J Andrés, L Gracia, P Gonzalez-Navarrete, VM Longo, W Avansi Jr, ...
Scientific reports 4, 5391, 2014
892014
Theoretical Study on the Molecular Mechanism for the Reaction of VO2+ with C2H4
L Gracia, JR Sambrano, VS Safont, M Calatayud, A Beltrán, J Andrés
The Journal of Physical Chemistry A 107 (17), 3107-3120, 2003
842003
Presence of excited electronic state in CaWO4 crystals provoked by a tetrahedral distortion: An experimental and theoretical investigation
L Gracia, VM Longo, LS Cavalcante, A Beltrán, W Avansi, MS Li, ...
Journal of Applied Physics 110 (4), 043501, 2011
832011
DFT study of the reaction between VO2+ and C2H6
L Gracia, J Andrés, VS Safont, A Beltran, JR Sambrano
Organometallics 23 (4), 730-739, 2004
772004
Characterization of the high-pressure structures and phase transformations in SnO2. A density functional theory study
L Gracia, A Beltrán, J Andrés
The Journal of Physical Chemistry B 111 (23), 6479-6485, 2007
702007
A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Crystals
VM Longo, L Gracia, DG Stroppa, LS Cavalcante, M Orlandi, AJ Ramirez, ...
The Journal of Physical Chemistry C 115 (41), 20113-20119, 2011
692011
Experimental and Theoretical Study on the Structure, Optical Properties, and Growth of Metallic Silver Nanostructures in Ag3PO4
G Botelho, JC Sczancoski, J Andres, L Gracia, E Longo
The Journal of Physical Chemistry C 119 (11), 6293-6306, 2015
672015
Toward Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) Facets. A Combined Experimental and …
MRD Bomio, RL Tranquilin, FV Motta, CA Paskocimas, RM Nascimento, ...
The Journal of Physical Chemistry C 117 (41), 21382-21395, 2013
622013
High-pressure study of the behavior of mineral barite by X-ray diffraction
D Santamaría-Pérez, L Gracia, G Garbarino, A Beltrán, R Chuliá-Jordán, ...
Physical Review B 84 (5), 054102, 2011
542011
Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations
J Andrés, L Gracia, AF Gouveia, MM Ferrer, E Longo
Nanotechnology 26 (40), 405703, 2015
502015
Migration of the subsurface C impurity in Pd (111)
L Gracia, M Calatayud, J Andrés, C Minot, M Salmeron
Physical Review B 71 (3), 033407, 2005
492005
Compression of scheelite-type SrMoO4 under quasi-hydrostatic conditions: Redefining the high-pressure structural sequence
D Errandonea, L Gracia, R Lacomba-Perales, A Polian, JC Chervin
Journal of Applied Physics 113 (12), 123510, 2013
482013
A theoretical study on the photoluminescence of SrTiO3
L Gracia, J Andrés, VM Longo, JA Varela, E Longo
Chemical Physics Letters 493 (1-3), 141-146, 2010
482010
Identifying and rationalizing the morphological, structural, and optical properties of-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces …
MT Fabbro, C Saliby, LR Rios, FA La Porta, L Gracia, MS Li, J Andrés, ...
Science and technology of advanced materials 16 (6), 065002, 2015
472015
Chemical structure and reactivity by means of quantum chemical topology analysis
J Andrés, L Gracia, P González-Navarrete, VS Safont
Computational and Theoretical Chemistry 1053, 17-30, 2015
472015
Elucidating the real-time Ag nanoparticle growth on α-Ag 2 WO 4 during electron beam irradiation: experimental evidence and theoretical insights
W da Silva Pereira, J Andrés, L Gracia, MA San-Miguel, EZ da Silva, ...
Physical chemistry chemical physics 17 (7), 5352-5359, 2015
472015
Quantum-mechanical simulation of MgAl_ {2} O_ {4} under high pressure
L Gracia, A Beltran, J Andrés, R Franco, JM Recio
Physical Review B 66 (22), 224114, 2002
422002
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