MARIA EUGENIA SANDOVAL SALINAS-rekin lankidetzan egindako argitalpenak (5)

2023

  1. Correlation vs. exchange competition drives the singlet-triplet excited-state inversion in non-alternant hydrocarbons

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 39, pp. 26417-26428

  2. Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 16, pp. 11697-11706

  3. Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions

    Journal of Chemical Physics, Vol. 158, Núm. 4

2019

  1. From cyclic nanorings to single-walled carbon nanotubes: Disclosing the evolution of their electronic structure with the help of theoretical methods

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 5, pp. 2547-2557

2018

  1. The role of topology in organic molecules: Origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 10, pp. 7112-7124