Publicaciones en colaboración con investigadoras/es de University of Calabria (11)

2022

  1. Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 9, pp. 5323-5329

2018

  1. TCNQ Physisorption on the Topological Insulator Bi2Se3

    ChemPhysChem, Vol. 19, Núm. 18, pp. 2405-2410

2016

  1. Manipulating the Topological Interface by Molecular Adsorbates: Adsorption of Co-Phthalocyanine on Bi2Se3

    Nano Letters, Vol. 16, Núm. 6, pp. 3409-3414

2010

  1. Ab initio study of microsolvated Al3+-aromatic amino acid complexes

    Journal of Physical Chemistry B, Vol. 114, Núm. 27, pp. 9017-9022

2008

  1. Introduction: Theoretical Biophysics Symposium, Cetraro, Italy, June 16-20, 2007

    International Journal of Quantum Chemistry

2007

  1. Assessment of approximate density functional methods for the study of the interactions of AI(III) with aromatic amino acids

    Journal of Chemical Theory and Computation, Vol. 3, Núm. 5, pp. 1830-1836

  2. Complexation of AlIII by aromatic amino acids in the gas phase

    Inorganic Chemistry, Vol. 46, Núm. 16, pp. 6413-6419

  3. Second international theoretical biophysics symposium, Örebro University, Sweden, June 28-July 1, 2005

    International Journal of Quantum Chemistry

2006

  1. Activation of methane by the iron dimer cation. A theoretical study

    Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12501-12511

2004

  1. Theoretical Study of Two-State Reactivity of Transition Metal Cations: The "Difficult" Case of Iron Ion Interacting with Water, Ammonia, and Methane

    Journal of Physical Chemistry A, Vol. 108, Núm. 6, pp. 1069-1081

2003

  1. The electronic states of Fe2+

    Chemical Physics Letters, Vol. 376, Núm. 3-4, pp. 310-317