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Combined Density Functional Theory and Interatomic Potential Study of the Bulk and Surface Structures and Properties of the Iron Sulfide Mackinawite (FeS)
Combined Density Functional Theory and Interatomic Potential Study of the Bulk and Surface Structures and Properties of the Iron Sulfide Mackinawite (FeS)
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Combined Density Functional Theory and Interatomic Potential Study of the Bulk and Surface Structures and Properties of the Iron Sulfide Mackinawite (FeS)

Devey, A. J ; Grau-Crespo, R ; de Leeuw, N. H

Journal of physical chemistry. C, 2008-07, Vol.112 (29), p.10960-10967 [Periódico revisado por pares]

American Chemical Society

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2
Adsorption of Methyl Acetoacetate at Ni{111}: Experiment and Theory
Adsorption of Methyl Acetoacetate at Ni{111}: Experiment and Theory
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Adsorption of Methyl Acetoacetate at Ni{111}: Experiment and Theory

Ontaneda, Jorge ; Nicklin, Richard E. J ; Cornish, Alix ; Roldan, Alberto ; Grau-Crespo, Ricardo ; Held, Georg

Journal of physical chemistry. C, 2016-12, Vol.120 (48), p.27490-27499 [Periódico revisado por pares]

American Chemical Society

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3
Redox Behavior of the Model Catalyst Pd/CeO2−x /Pt(111)
Redox Behavior of the Model Catalyst Pd/CeO2−x /Pt(111)
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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

Journal of physical chemistry. C, 2008-07, Vol.112 (29), p.10918-10922 [Periódico revisado por pares]

American Chemical Society

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4
Theoretical Investigation of the Deposition of Cu, Ag, and Au Atoms on the ZrO2(111) Surface
Theoretical Investigation of the Deposition of Cu, Ag, and Au Atoms on the ZrO2(111) Surface
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Theoretical Investigation of the Deposition of Cu, Ag, and Au Atoms on the ZrO2(111) Surface

Grau-Crespo, Ricardo ; Hernández, Norge Cruz ; Sanz, Javier F ; de Leeuw, Nora H

Journal of physical chemistry. C, 2007-07, Vol.111 (28), p.10448-10454 [Periódico revisado por pares]

American Chemical Society

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5
Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface
Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface
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Electronic Structure and Redox Properties of the Ti-Doped Zirconia (111) Surface

Chauke, Hasani R ; Murovhi, Phathutshedzo ; Ngoepe, Phuti E ; de Leeuw, Nora H ; Grau-Crespo, Ricardo

Journal of physical chemistry. C, 2010-09, Vol.114 (36), p.15403-15409 [Periódico revisado por pares]

American Chemical Society

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