Fisicoquímica de Superficies y Nanoestructuras
Universidad de Oviedo
Oviedo, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Oviedo (14)
2020
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Siesta: Recent developments and applications
The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108
1999
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Ab initio structural, elastic, and vibrational properties of carbon nanotubes
Physical Review B - Condensed Matter and Materials Physics, Vol. 59, Núm. 19, pp. 12678-12688
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Application of local-spin-density approximation to (formula presented) and tetrahedral (formula presented)
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 15, pp. 10594-10597
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Atomic layering at the liquid silicon surface: A first-principles simulation
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 24, pp. R16283-R16286
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Bonding and diffusion of Ba on a Si(001) reconstructed surface
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 7, pp. 4968-4971
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Electronic states in a finite carbon nanotube: A one-dimensional quantum box
Physical Review Letters, Vol. 82, Núm. 17, pp. 3520-3523
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Linear-scaling ab-initio calculations for large and complex systems
Physica Status Solidi (B) Basic Research, Vol. 215, Núm. 1, pp. 809-817
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Structure and thermal stability of gold nanoclusters: The Au38 case
European Physical Journal D, Vol. 9, Núm. 1-4, pp. 211-215
1998
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Ab initio study of (NaCl) nNa+ clusters
Canadian Journal of Physics, Vol. 76, Núm. 4, pp. 311-320
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Lowest energy structures of gold nanoclusters
Physical Review Letters, Vol. 81, Núm. 8, pp. 1600-1603
1997
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Density-functional method for very large systems with LCAO basis sets
International Journal of Quantum Chemistry, Vol. 65, Núm. 5, pp. 453-461
1995
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Theoretical study of (NaCl)n clusters
Physica B: Physics of Condensed Matter, Vol. 212, Núm. 4, pp. 329-342
1993
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Molecular orbital calculations on (MgO)n and (MgO) n+ clusters (n=1-13)
The Journal of Chemical Physics, Vol. 98, Núm. 6, pp. 4783-4792
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Theoretical study of NaCl clusters
Zeitschrift für Physik D Atoms, Molecules and Clusters, Vol. 26, Núm. 1 Supplement, pp. 213-215