EMILIO
SAN FABIAN MAROTO
Ikertzailea 1981-2024 tartean
Instituto de Ciencia de Materiales de Madrid
Madrid, EspañaInstituto de Ciencia de Materiales de Madrid -ko ikertzaileekin lankidetzan egindako argitalpenak (25)
2024
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Long-Range Effects in Topologically Defective Arm-Chair Graphene Nanoribbons
Nanomaterials, Vol. 14, Núm. 9
2019
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Electron enrichment of zigzag edges of armchair–oriented graphene nano–ribbons increases their stability and induces pinning of Fermi level
Carbon, Vol. 154, pp. 211-218
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Transport and optical gaps in amorphous organic molecular materials
Molecules, Vol. 24, Núm. 3
2018
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Conductance through the armchair graphene nanoribbons 9-AGNR: Strong dependence on contact to leads
Physical Review B, Vol. 98, Núm. 15
2017
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Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?
Journal of Physical Chemistry Letters
2016
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Herringbone Pattern and CH–π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic Hydrocarbons
ChemPhysChem, Vol. 17, Núm. 21, pp. 3548-3557
2015
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Can model Hamiltonians describe the electron-electron interaction in π-conjugated systems?: PAH and graphene
Journal of Physics Condensed Matter, Vol. 27, Núm. 46
2014
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Role of potassium orbitals in the metallic behavior of K3 picene
Physical Review B - Condensed Matter and Materials Physics, Vol. 90, Núm. 3
2013
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Exponential decay of spin-spin correlation between distant defect states produced by contour hydrogenation of polycyclic aromatic hydrocarbon molecules
Physical Review B - Condensed Matter and Materials Physics, Vol. 87, Núm. 12
2012
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Spin alignment of extra electrons in K-phenanthrene clusters taken from the crystalline tripotassium-intercalated phenanthrene structure
Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 16
2011
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PPP Hamiltonian for polar polycyclic aromatic hydrocarbons
European Physical Journal B, Vol. 81, Núm. 2, pp. 253-262
2010
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Fit of pariser-parr-pople and hubbard model Hamiltonians to charge and spin states of polycyclic aromatic hydrocarbons
Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 8
2009
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Magnetic molecules created by hydrogenation of polycyclic aromatic hydrocarbons
Physical Review B - Condensed Matter and Materials Physics, Vol. 79, Núm. 9
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Magnetism in hydro- and dehydrogenated benzene
Physica Status Solidi (C) Current Topics in Solid State Physics
2008
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Effects of methods and basis set on ab initio calculations of electronic transport through hydrogenated Pt nanocontacts
International Journal of Quantum Chemistry
2007
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Hubbard Hamiltonian for the hydrogen molecule
Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 19
2005
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Molecular electronics with gaussian98/03
Computational Chemistry: Reviews Of Current Trends, Vol. 9 (World Scientific Publishing Co.), pp. 1-46
2004
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Conductance fluctuations in metallic nanocontacts
Physical Review B - Condensed Matter and Materials Physics, Vol. 70, Núm. 4
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Electronic transport and vibrational modes in a small molecular bridge: H2in Pt nanocontacts
Physical Review B - Condensed Matter and Materials Physics, Vol. 69, Núm. 4
2003
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Analysis of scanning tunneling spectroscopy experiments from first principles: The test case of C60 adsorbed on Au(111)
ChemPhysChem, Vol. 4, Núm. 4, pp. 388-392