Publicacions en col·laboració amb investigadors/es de University of Bologna (11)

2016

  1. Theoretical study on the excited-state π-stacking versus intermolecular hydrogen-transfer processes in the guanine–cytosine/cytosine trimer

    Theoretical Chemistry Accounts, Vol. 135, Núm. 2, pp. 1-15

2015

  1. Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV)

    Journal of Chemical Physics, Vol. 143, Núm. 21

2013

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

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

2011

  1. On the role of the triplet state in the cis/trans isomerization of rhodopsin: A CASPT2//CASSCF study of a model chromophore

    International Journal of Quantum Chemistry, Vol. 111, Núm. 13, pp. 3431-3437

2009

  1. Deciphering intrinsic deactivation/isomerization routes in a phytochrome chromophore model

    Journal of Physical Chemistry B, Vol. 113, Núm. 45, pp. 15067-15073

  2. Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: On the role of counterion quenching

    Journal of the American Chemical Society, Vol. 131, Núm. 14, pp. 5172-5186

2007

  1. About the intrinsic photochemical properties of the 11-cis retinal chromophore: Computational clues for a trap state and a lever effect in Rhodopsin catalysis

    Theoretical Chemistry Accounts, Vol. 118, Núm. 1, pp. 173-183

  2. Toward an understanding of the spectral tuning in Rhodopsin

    AIP Conference Proceedings

2005

  1. Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: The β-ionone "Handle" and alkyl group effect

    Journal of Physical Chemistry A, Vol. 109, Núm. 29, pp. 6597-6605

2002

  1. Cyclooctatetraene computational photo- and thermal chemistry: A reactivity model for conjugated hydrocarbons

    Journal of the American Chemical Society, Vol. 124, Núm. 46, pp. 13770-13789

2000

  1. Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 97, Núm. 17, pp. 9379-9384