Publicaciones en colaboración con investigadores/as de Donostia International Physics Center (9)

2021

  1. Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5825-5838

2019

  1. Effect of Regioisomerism on Processability and Mechanical Properties of Amine/Urea Exchange Based Poly(urea-urethane) Vitrimers

    ACS Applied Polymer Materials, Vol. 1, Núm. 9, pp. 2472-2481

  2. Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 15, pp. 7941-7952

2018

  1. Reprocessable and recyclable crosslinked poly(urea-urethane)s based on dynamic amine/urea exchange

    Polymer, Vol. 145, pp. 127-136

  2. Sulfenamides as Building Blocks for Efficient Disulfide-Based Self-Healing Materials. A Quantum Chemical Study

    ChemistryOpen, Vol. 7, Núm. 3, pp. 248-255

2017

  1. The role of non-covalent interactions in the self-healing mechanism of disulfide-based polymers

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 28, pp. 18461-18470

2016

  1. Design of new disulfide-based organic compounds for the improvement of self-healing materials

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 3, pp. 1758-1770

2014

  1. Assessment of the second-order perturbative corrections to PNOF5

    Molecular Physics, Vol. 112, Núm. 5-6, pp. 1-8

2011

  1. Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: A CASSCF/CASPT2 study

    Inorganic Chemistry, Vol. 50, Núm. 19, pp. 9219-9229