Publications by the researcher in collaboration with Marco Dino Maurizio Marazzi (15)

2024

  1. A predictive screening tool to evaluate the efficiency of Z/E photoisomerizable molecular switches

    Communications Physics, Vol. 7, Núm. 1

  2. Modulating Efficiency and Color of Thermally Activated Delayed Fluorescence by Rationalizing the Substitution Effect

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 10, pp. 4239-4253

2023

  1. Introduction to molecular photophysics

    Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 3-49

2022

  1. Design of Improved Molecular Solar-Thermal Systems by Mechanochemistry: The Case of Azobenzene

    Advanced Sustainable Systems, Vol. 6, Núm. 7

2021

  1. Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 9, pp. 5429-5439

2019

  1. Mechanochemical Improvement of Norbornadiene-Based Molecular Solar-Thermal Systems Performance

    ACS Sustainable Chemistry and Engineering, Vol. 7, Núm. 24, pp. 19496-19504

  2. Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 925-932

2014

  1. Definition and determination of the triplet-triplet energy transfer reaction coordinate

    Journal of Chemical Physics, Vol. 140, Núm. 3

  2. Toward an optomechanical control of photoswitches by tuning their spectroscopical properties: Structural and dynamical insights into Azobenzene

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 1, pp. 312-323

2012

  1. Modulating nitric oxide release by S-nitrosothiol photocleavage: Mechanism and substituent effects

    Journal of Physical Chemistry A, Vol. 116, Núm. 26, pp. 7039-7049

  2. Photostability mechanisms in human γb-crystallin: Role of the tyrosine corner unveiled by quantum mechanics and hybrid quantum mechanics/molecular mechanics methodologies

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 4, pp. 1351-1359

  3. Structural substituent effect in the excitation energy of a chromophore: Quantitative determination and application to S-nitrosothiols

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 9, pp. 3293-3302

2011

  1. Efecto de la radiación ultravioleta sobre proteínas: un estudio computacional

    Terceras Jornadas de Jóvenes Investigadores de la Universidad de Alcalá

  2. First principles study of photostability within hydrogen-bonded amino acids

    Physical Chemistry Chemical Physics

2010

  1. Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins

    Journal of Physical Chemistry Letters, Vol. 1, Núm. 1, pp. 425-428