Symmetry-adapted configurational modelling of fractional site occupancy in solids
Grau-Crespo, R, Hamad, S, Catlow, C R A, de Leeuw, N H
Published in Journal of physics. Condensed matter (27.06.2007)
Published in Journal of physics. Condensed matter (27.06.2007)
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Journal Article
Redox Behavior of the Model Catalyst Pd/CeO2−x /Pt(111)
Wilson, E. L, Grau-Crespo, R, Pang, C. L, Cabailh, G, Chen, Q, Purton, J. A, Catlow, C. R. A, Brown, W. A, de Leeuw, N. H, Thornton, G
Published in Journal of physical chemistry. C (24.07.2008)
Published in Journal of physical chemistry. C (24.07.2008)
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Journal Article
A computer simulation study of distribution, structure and acid strength of active sites in H-ZSM-5 catalyst
GRAU-CRESPO, Ricardo, PERALTA, Alejandro G, RUIZ-SALVADOR, A. Rabdel, GOMEZ, Ariel, LOPEZ-CORDERO, Rafael
Published in Physical chemistry chemical physics : PCCP (01.01.2000)
Published in Physical chemistry chemical physics : PCCP (01.01.2000)
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Journal Article
Distribution of Cations in FeSbO4: A Computer Modeling Study
Grau-Crespo, Ricardo, de Leeuw, Nora H, Catlow, C. Richard A
Published in Chemistry of materials (18.05.2004)
Published in Chemistry of materials (18.05.2004)
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Journal Article
Redox Behavior of the Model Catalyst Pd/CeO 2− x /Pt(111)
Wilson, E. L., Grau-Crespo, R., Pang, C. L., Cabailh, G., Chen, Q., Purton, J. A., Catlow, C. R. A., Brown, W. A., de Leeuw, N. H., Thornton, G.
Published in Journal of physical chemistry. C (01.07.2008)
Published in Journal of physical chemistry. C (01.07.2008)
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Journal Article
Redox properties of gold-substituted zirconia surfaces
GRAU-CRESPO, Ricardo, HERNINDEZ, Norge Cruz, SANZ, Javier F, DE LEEUW, Nora H
Published in Journal of materials chemistry (14.02.2009)
Published in Journal of materials chemistry (14.02.2009)
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Journal Article
A computational study of the effect of Li-K solid solutions on the structures and stabilities of layered silicate materials-an application of the use of Condor pools in molecular simulation
Du, Z., de Leeuw, N. H., Grau-Crespo, R., Wilson, P. B., Brodholt, J. P., Calleja, M., Dove, M. T.
Published in Molecular simulation (30.04.2005)
Published in Molecular simulation (30.04.2005)
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Journal Article
Cation distribution and magnetic ordering in FeSbO4
GRAU-CRESPO, Ricardo, DE LEEUW, Nora H, CATLOW, C. Richard A
Published in Journal of materials chemistry (01.01.2003)
Published in Journal of materials chemistry (01.01.2003)
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Journal Article
Thermodynamics of hydrogen vacancies in MgH2 from first-principles calculations and grand-canonical statistical mechanics
Grau-Crespo, R, Smith, K C, Fisher, T S, de Leeuw, N H, Waghmare, U V
Published in arXiv.org (22.10.2009)
Published in arXiv.org (22.10.2009)
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