Publicacións en colaboración con investigadores/as de Georgia Institute of Technology (13)

2019

  1. Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials

    Advanced Theory and Simulations, Vol. 2, Núm. 11

2011

  1. Hexaazatriphenylene (HAT) versus tri-HAT: The bigger the better?

    Chemistry - A European Journal, Vol. 17, Núm. 37, pp. 10312-10322

2010

  1. Charge Transport in Organic Semiconductors: A Multiscale Modeling

    Functional Supramolecular Architectures: For Organic Electronics and Nanotechnology (wiley), pp. 1-38

  2. Optical absorption and emission properties of end-capped oligothienoacenes: A joint theoretical and experimental study

    Organic Electronics, Vol. 11, Núm. 10, pp. 1701-1712

2009

  1. Electronic structure and charge-transport parameters of functionalized tetracene crystals: Impact of partial fluorination and alkyl or alkoxy derivatization

    Chemistry of Materials, Vol. 21, Núm. 15, pp. 3593-3601

  2. Ferrocenyl-ended thieno-vinylene oligomers: donor-acceptor polarization and mixed-valence properties with emphasis on the Raman mapping of localized-to-delocalized transitions

    Chemistry - A European Journal, Vol. 15, Núm. 11, pp. 2548-2559

  3. Impact of perfluorination on the charge-transport parameters of oligoacene crystals

    Journal of the American Chemical Society, Vol. 131, Núm. 4, pp. 1502-1512

  4. Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: the case of anthracene and perfluoropentacene

    ChemPhysChem, Vol. 10, Núm. 13, pp. 2265-2273

  5. Oxidation of end-capped pentathienoacenes and characterization of their radical cations

    Chemistry - A European Journal, Vol. 15, Núm. 45, pp. 12346-12361

  6. Synthesis, spectroscopy, nonlinear optics, and theoretical investigations of thienylethynyl octopoles with a tunable core

    Chemistry - A European Journal, Vol. 15, Núm. 33, pp. 8223-8234

2008

  1. Electronic, optical, and vibrational properties of bridged dithienylethylene-based NLO chromophores

    Journal of Physical Chemistry C, Vol. 112, Núm. 8, pp. 3109-3120

2007

  1. NLO properties of Dithienothiophene-based chromophores: A comparison study between the Donor/Donor and Donor/Acceptor substitution patterns

    Proceedings of SPIE - The International Society for Optical Engineering

  2. Theoretical understanding of the increment of β upon protonation of pyridine peripheral octupolar molecules: Toward nonlinear optical sensors

    Journal of Chemical Physics, Vol. 127, Núm. 16