Publicaciones en colaboración con investigadores/as de University of Strasbourg (11)

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

  2. Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 5, pp. 1063-1067

  3. pH-Dependent Absorption Spectrum of Oxyluciferin Analogues in the Presence of Adenosine Monophosphate

    ChemPhotoChem, Vol. 3, Núm. 12, pp. 1219-1230

2018

  1. Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 5, pp. 2570-2585

  2. Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 4, pp. 2117-2126

  3. The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone

    Photochemical and Photobiological Sciences, Vol. 17, Núm. 3, pp. 323-331

2017

  1. Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

    Angewandte Chemie International, Vol. 56, Núm. 14, pp. 3842-3846

2016

  1. A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 9, pp. 6742-6753

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

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

  3. Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 839-850

2015

  1. Directionality of double-bond photoisomerization dynamics induced by a single stereogenic center

    Journal of Physical Chemistry Letters, Vol. 6, Núm. 4, pp. 599-604