Publicaciones en las que colabora con Ricardo Díez Muiño (33)
2021
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Erratum: Ab Initio Molecular Dynamics Study of Alignment Resolved O2Scattering from Highly Oriented Pyrolytic Graphite (The Journal of Physical Chemistry C (2019) 123:51 (31094−31102) DOI: 10.1021/acs.jpcc.9b09774)
Journal of Physical Chemistry C
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High-Dimensional Atomistic Neural Network Potential to Study the Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite
The journal of physical chemistry. A, Vol. 125, Núm. 12, pp. 2588-2600
2020
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Nonadiabatic effects in gas-surface dynamics
Springer Handbooks (Springer Science and Business Media Deutschland GmbH), pp. 929-965
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Structure and properties of CoCrFeNiX multi-principal element alloys from ab initio calculations
Journal of Applied Physics, Vol. 127, Núm. 14
2019
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Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite
Journal of Physical Chemistry C, Vol. 123, Núm. 51, pp. 31094-31102
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Elastic properties of the TiZrNbTaMo multi-principal element alloy studied from first principles
Intermetallics, Vol. 106, pp. 130-140
2017
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Non-adiabatic effects in elementary reaction processes at metal surfaces
Progress in Surface Science, Vol. 92, Núm. 4, pp. 317-340
2015
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Angular distributions and rovibrational excitation of N2 molecules recombined on N-covered Ag(1 1 1) by the Eley-Rideal mechanism
Catalysis Today, Vol. 244, pp. 115-121
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Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles
Journal of Chemical Physics, Vol. 142, Núm. 7
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The dynamics of adsorption and dissociation of N2 in a monolayer of iron on W(110)
Physical Chemistry Chemical Physics, Vol. 17, Núm. 29, pp. 19432-19445
2014
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Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)
Physical Review Letters, Vol. 112, Núm. 10
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Surface strain improves molecular adsorption but hampers dissociation for N2 on the Fe / W (110) surface
Physical Review Letters, Vol. 113, Núm. 6
2013
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Efficient N2 formation on Ag(111) by eley-rideal recombination of hyperthermal atoms
Journal of Physical Chemistry Letters, Vol. 4, Núm. 21, pp. 3704-3709
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Scattering of nitrogen atoms off Ag(111) surfaces: A theoretical study
Journal of Physical Chemistry C, Vol. 117, Núm. 19, pp. 9779-9790
2012
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Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
Physical Review Letters, Vol. 108, Núm. 9
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Dissociative and non-dissociative adsorption dynamics of N 2 on Fe(110)
Physical Chemistry Chemical Physics, Vol. 14, Núm. 20, pp. 7471-7480
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Dynamics of nitrogen scattering off N-covered Ag(111)
Journal of Physical Chemistry C, Vol. 116, Núm. 41, pp. 21903-21912
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Energy dissipation channels in the adsorption of N on Ag(111)
Computational and Theoretical Chemistry, Vol. 990, pp. 126-131
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Erratum: Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces (Physical Review Letters (2012) 108 (096101))
Physical Review Letters
2011
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Non-reactive scattering of N2 from the W(110) surface studied with different exchange-correlation functionals
Physical Chemistry Chemical Physics, Vol. 13, Núm. 10, pp. 4357-4364