Structure and Stability of Small TiO2 Nanoparticles von Hamad, S, Catlow, C. R. A, Woodley, S. M, Lago, S, Mejías, J. A

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Calculation of the absolute hydration enthalpy and free energy of H+ and OH von Mejı́as, J. A., Lago, S.

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Microscopic and macroscopic dielectric description of mixed oxide thin films von Ferrer, F. J., Yubero, F., Mejías, J. A., García-Lopez, F. J., González-Elipe, A. R.

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A Computational Study of the Hydration of the OH Radical von Hamad, S, Lago, S, Mejías, J. A

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Properties of small TiO2, ZrO2 and HfO2 nanoparticles von Woodley, S M, Hamad, S, Mejias, J A, Catlow, C R A

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A Coarse-Graining Approach for the Proton Complex in Protonated Aluminosilicates von Calero, S., Lobato, M. D., García-Pérez, E., Mejías, J. A., Lago, S., Vlugt, T. J. H., Maesen, T. L. M., Smit, B., Dubbeldam, D.

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Interpretation of the Binding Energy and Auger Parameter Shifts Found by XPS for TiO2 Supported on Different Surfaces von Mejías, J. A, Jiménez, V. M, Lassaletta, G, Fernández, A, Espinós, J. P

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Monte Carlo simulations of symmetric and asymmetric angular model liquids von Calero, S., Garzón, B., Mejı́as, J. A., Lago, S.

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Interface effects for metal oxide thin films deposited on another metal oxide. II. SnO2 deposited on SiO2 von JIMENEZ, V. M, MEJIAS, J. A, ESPINOS, J. P, GONZALEZ-ELIPE, A. R

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Electronic states of the Cr2O3(0001) surface from ab initio embedded cluster calculations von Mejias, J A, Staemmler, V, Freund, H-J

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Strong relaxations at the Cr2O3(0001) surface as determined via low-energy electron diffraction and molecular dynamics simulations von ROHR, F, BÄUMER, M, FREUND, H.-J, MEJIAS, J. A, STAEMMLER, V, MÜLLER, S, HAMMER, L, HEINZ, K

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On modelling the interaction of CO on the MgO(100) surface von Mejías, J.A., Márquez, A.M., Fernández Sanz, J., Fernández-García, M., Ricart, J.M., Sousa, C., Illas, F.

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Spectroscopic characterisation and chemical reactivity of silicon monoxide layers deposited on Cu(100) von Yubero, F., Barranco, A., Mejı́as, J.A., Espinós, J.P., González-Elipe, A.R.

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Structure and chemistry of SiOx (x<2) systems von BARRANCO, A, YUBERO, F, ESPINOS, J. P, HOLGADO, J. P, CABALLERO, A, GONZALEZ-ELIPE, A. R, MEJIAS, J. A

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Theoretical study of adsorption of Cu, Ag, and Au on the NaCl(100) surface von Mejías, JA

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Microscopic and macroscopic dielectric description of mixedoxide thin films von Ferrer, F. J., Yubero, F., Mejías, J. A., García-Lopez, F. J., González-Elipe, A. R.

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Unrestricted compact model potentials for ab initio embedded cluster calculations: Magnetic interactions in KNiF3 von Mejías, J. A., Sanz, Javier Fernández

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Pollen morphology of Sonchus and related genera, and a general discussion von Díez, M. J., Mejías, J. A., Moreno-Socías, E.

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Role of surface heterogeneity in the chemical bond of MgO: ionic character of regular and defect surface sites von Sousa, C., Mejías, J.A., Pacchioni, G., Illas, F.

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Structure and Stability of Small TiO 2 Nanoparticles von Hamad, S., Catlow, C. R. A., Woodley, S. M., Lago, S., Mejías, J. A.

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