Towards bond selective chemistry from first principles: methane on metal surfaces von Shen, X J, Lozano, A, Dong, W, Busnengo, H F, Yan, X H

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Electronic friction dominates hydrogen hot-atom relaxation on Pd(100) von Blanco-Rey, M, Juaristi, J I, Díez Muiño, R, Busnengo, H F, Kroes, G J, Alducin, M

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Dissociative and non-dissociative adsorption of O2 on Cu(111) and CuML/Ru(0001) surfaces: adiabaticity takes over von Ramos, M, Díaz, C, Martínez, A. E, Busnengo, H. F, Martín, F

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Chain-Length and Temperature Dependence of Self-Assembled Monolayers of Alkylthiolates on Au(111) and Ag(111) Surfaces von Wang, Y, Solano Canchaya, J. G, Dong, W, Alcamí, M, Busnengo, H. F, Martín, F

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H2 dissociation on individual Pd atoms deposited on Cu(111) von Ramos, M, Martínez, A. E, Busnengo, H. F

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DFT Study of Dissociative Adsorption of Hydrogen Sulfide on Cu(111) and Au(111) von Abufager, P. N, Lustemberg, P. G, Crespos, C, Busnengo, H. F

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Trapping, molecular adsorption, and precursors for nonactivated chemisorption von BUSNENGO, H. F, DONG, W, SALIN, A

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Site-Specific Product Selectivity of Stepped Pt Surfaces for Methane Dehydrogenation von Torio, M. E, Busnengo, H. F

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Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100) von Alducin, M, Busnengo, H F, Díez Muiño, R

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Representation of the 6D potential energy surface for a diatomic molecule near a solid surface von Busnengo, H. F., Salin, A., Dong, W.

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Adsorption dynamics of H2 on Pd(100) from first principles von LOZANO, A, GROSS, A, BUSNENGO, H. F

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Environment-driven reactivity of H2 on PdRu surface alloys von RAMOS, M, MINNITI, M, DIAZ, C, FARIAS, D, MIRANDA, R, MARTIN, F, MARTINEZ, A. E, BUSNENGO, H. F

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Commensurate Solid–Solid Phase Transitions in Self-Assembled Monolayers of Alkylthiolates Lying on Metal Surfaces von Wang, Y, Solano-Canchaya, J. G, Alcamí, M, Busnengo, H. F, Martín, F

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Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces von Lozano, A., Shen, X.J., Moiraghi, R., Dong, W., Busnengo, H.F.

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Theoretical study of hydrogen dissociative adsorption on strained pseudomorphic monolayers of Cu and Pd deposited onto a Ru(0001) substrate von LAURENT, G, MARTIN, F, BUSNENGO, H. F

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Normal and off-normal incidence dissociative dynamics of O 2 (v,J) on ultrathin Cu films grown on Ru(0001) von Fallaque, J G, Ramos, M, Busnengo, H F, Martín, F, Díaz, C

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The Reaction Pathways for HSCH3 Adsorption on Au(111):  A Density Functional Theory Study von Lustemberg, P. G, Martiarena, M. L, Martínez, A. E, Busnengo, H. F

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Study of the interaction between short alkanethiols from ab initio calculations von Canchaya, J. G. Solano, Wang, Y, Alcamí, M, Martín, F, Busnengo, H. F

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Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001) von Fallaque, J G, Ramos, M, Busnengo, H F, Martín, F, Díaz, C

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Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces von Juaristi, J I, Alducin, M, Muiño, R Díez, Busnengo, H F, Salin, A

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