Publications by the researcher in collaboration with IGNACIO PEREZ JUSTE (10)

2016

  1. A computational study of the interaction of graphene structures with biomolecular units

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 22, pp. 15312-15321

  2. Can single graphene nanodisks be used as Raman enhancement platforms?

    RSC Advances, Vol. 6, Núm. 75, pp. 71397-71403

  3. Revisiting the mechanism and the influence of the excitation wavelength on the surface-enhanced Raman scattering of the pyridine-Ag-20 system

    9TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2014)

2015

  1. On the mechanism responsible of Raman enhancement on carbon allotropes surfaces: The role of molecule-surface vibrational coupling in SERS

    Journal of Raman Spectroscopy, Vol. 46, Núm. 12, pp. 1205-1214

  2. Revisiting the mechanism and the influence of the excitation wavelength on the surface-enhanced Raman scattering of the pyridine–Ag20 system

    Theoretical Chemistry Accounts, Vol. 134, Núm. 5, pp. 1-13

  3. Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: The pyridine case

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 575-587

2014

  1. Theoretical vibrational Raman and surface-enhanced Raman scattering spectra of water interacting with silver clusters

    ChemPhysChem, Vol. 15, Núm. 18, pp. 4067-4076

2013

  1. Structural characterization of anion-calcium-humate complexes in phosphate-based fertilizers

    ChemSusChem, Vol. 6, Núm. 7, pp. 1245-1251

2010

  1. Contributions from orbital-orbital interactions to nucleus-independent chemical shifts and their relation with aromaticity or antiaromaticity of conjugated molecules

    Chemical Physics Letters, Vol. 491, Núm. 4-6, pp. 224-229

2008

  1. Aromaticity in spin-polarized systems: Can rings be simultaneously alpha aromatic and beta antiaromatic?

    Journal of Chemical Physics, Vol. 129, Núm. 16