Publicaciones en colaboración con investigadores/as de University of Bologna (12)

2019

  1. Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 12, pp. 3481-3487

2018

  1. Photoinduced formation mechanism of the thymine-thymine (6-4) adduct in DNA; A QM(CASPT2//CASSCF):MM(AMBER) study

    Faraday Discussions, Vol. 207, pp. 375-387

  2. Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

    Faraday Discussions, Vol. 207, pp. 233-250

2017

  1. On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides

    Photochemistry and Photobiology, Vol. 93, Núm. 6, pp. 1368-1380

2016

  1. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541

  2. Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

    Chemistry - A European Journal, Vol. 22, Núm. 22, pp. 7497-7507

  3. Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra

    Theoretical Chemistry Accounts, Vol. 135, Núm. 5

  4. Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment

    Theoretical Chemistry Accounts, Vol. 135, Núm. 4

2015

  1. Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

    Journal of Chemical Physics, Vol. 142, Núm. 21

  2. Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: First principles simulations

    Faraday Discussions, Vol. 177, pp. 345-362

  3. Spectral lineshapes in nonlinear electronic spectroscopy

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 46, pp. 30925-30936

2013

  1. Photoinduced formation mechanism of the thymine-thymine (6-4) adduct

    Journal of Physical Chemistry B, Vol. 117, Núm. 7, pp. 1999-2004