Publicacions en què col·labora amb Julio A. Alonso (64)
2006
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Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory
Journal of Computational and Theoretical Nanoscience
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Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory
Journal of Chemical Physics, Vol. 125, Núm. 7
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TOWARDS NANOSTRUCTURED MATERIALS: AN EXAMPLE OF BORON NANOTUBES
Progress in Theoretical Chemistry and Physics (Springer Nature), pp. 547-556
2004
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Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars
Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296
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Deformations and thermal stability of carbon nanotube ropes
IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 230-236
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Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation
European Physical Journal D, Vol. 28, Núm. 2, pp. 211-218
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Interaction of molecular and atomic hydrogen with single-wall carbon nanotubes
IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 304-310
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Optical properties of nanostructures from time-dependent density functional theory
Journal of Computational and Theoretical Nanoscience, Vol. 1, Núm. 3, pp. 231-255
2003
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Correlation energies of light atoms related to pairing between antiparallel spin electrons
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 36, Núm. 13, pp. 2695-2705
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Coulomb explosion of deuterium cationic clusters
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, Núm. 6, pp. 4
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Coulomb explosion of deuterium cationic clusters
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 68, Núm. 6
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Deformations and thermal stability of carbon nanotube ropes
Proceedings of SPIE - The International Society for Optical Engineering
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Interaction of molecular and atomic hydrogen with single wall carbon nanotubes
Proceedings of SPIE - The International Society for Optical Engineering
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Molecular clusters of hydrogen, deuterium and tritium: Especially cationic species H3+(H2)m: m=2, 5 and 14
Proceedings of SPIE - The International Society for Optical Engineering
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Structural and thermal properties of silicon-doped fullerenes
Journal of Chemical Physics, Vol. 119, Núm. 2, pp. 1127-1135
2002
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Can optical spectroscopy directly elucidate the ground state of C20?
Journal of Chemical Physics, Vol. 116, Núm. 5, pp. 1930-1933
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Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes
Journal of Chemical Physics, Vol. 117, Núm. 5, pp. 2281-2288
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Patching and Tearing Single-Wall Carbon-Nanotube Ropes into Multiwall Carbon Nanotubes
Physical Review Letters, Vol. 89, Núm. 25
2001
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Novel polygonized single-wall carbon nanotube bundles
Physical Review Letters, Vol. 86, Núm. 14, pp. 3056-3059
2000
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Density functional study of adsorption of molecular hydrogen on graphene layers
Journal of Chemical Physics, Vol. 112, Núm. 18, pp. 8114-8119