Publicaciones en las que colabora con Luis Manuel Frutos Gaite (16)

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. An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 18, pp. 6392-6401

  2. Introduction to molecular photophysics

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

2022

  1. Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

    Journal of Organic Chemistry, Vol. 87, Núm. 19, pp. 12586-12595

2019

  1. Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

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

2018

  1. Molecular Switching by Electron Holes

    Chem

2017

  1. Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 2, pp. 727-736

  2. 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. Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties

    Journal of Organic Chemistry, Vol. 81, Núm. 15, pp. 6292-6302

2015

  1. Hydantoin-based molecular photoswitches

    Journal of Organic Chemistry, Vol. 80, Núm. 8, pp. 3929-3939

  2. Mechanical Forces Alter Conical Intersections Topology

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 8, pp. 3740-3745

2013

  1. Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 9, pp. 1389-1396

  2. E/Z Photochemical switches: Syntheses, properties and applications

    RSC Advances, Vol. 3, Núm. 18, pp. 6241-6266

2012

  1. 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