Publicaciones en colaboración con investigadores/as de Universitat de València (14)

2024

  1. Tailoring the efficiency of porphyrin molecular frameworks for the electroactivation of molecular N2

    Journal of Materials Chemistry A, Vol. 12, Núm. 18, pp. 10956-10964

  2. Towards a zero liquid discharge process from brine treatment: Water recovery, nitrate electrochemical elimination and potential valorization of hydrogen and salts

    Science of the Total Environment, Vol. 926

2019

  1. Design and characterization of effective Ag, Pt and agpt nanoparticles to H2O2 electrosensing from scrapped printed electrodes

    Sensors (Switzerland), Vol. 19, Núm. 7

  2. Electrochemical performance of activated screen printed carbon electrodes for hydrogen peroxide and phenol derivatives sensing

    Journal of Electroanalytical Chemistry, Vol. 839, pp. 75-82

2018

  1. Highly activated screen-printed carbon electrodes by electrochemical treatment with hydrogen peroxide

    Electrochemistry Communications, Vol. 91, pp. 36-40

  2. Quantum-chemical insights into the self-assembly of carbon-based supramolecular complexes

    Molecules, Vol. 23, Núm. 1

2017

  1. DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes

    Journal of Computational Chemistry, Vol. 38, Núm. 21, pp. 1869-1878

2015

  1. Accurate treatment of large supramolecular complexes by double-hybrid density functionals coupled with nonlocal van der waals corrections

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 3, pp. 932-939

  2. The nonlocal correlation density functional VV10: A successful attempt to accurately capture noncovalent interactions

    Annual Reports in Computational Chemistry, Vol. 11, pp. 37-102

2013

  1. Nonlocal van der Waals approach merged with double-hybrid density functionals: Toward the accurate treatment of noncovalent interactions

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 8, pp. 3437-3443

  2. Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

    Journal of Chemical Physics, Vol. 138, Núm. 20

2011

  1. Ab initio modeling of donor-acceptor interactions and charge-transfer excitations in molecular complexes: The case of terthiophene- tetracyanoquinodimethane

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 7, pp. 2068-2077

2010

  1. Determination of limiting factors of photovoltaic efficiency in quantum dot sensitized solar cells: Correlation between cell performance and structural properties

    Journal of Applied Physics, Vol. 108, Núm. 6

2008

  1. On the role of the nonlocal Hartree-Fock exchange in ab initio quantum transport: H2 in Pt nanocontacts revisited

    Journal of Chemical Physics, Vol. 129, Núm. 3