Publicaciones en colaboración con investigadores/as de Universidad de Alcalá (21)

2023

  1. Taking up the quest for novel molecular solar thermal systems: Pros and cons of storing energy with cubane and cubadiene

    Frontiers in Chemistry, Vol. 11

2021

  1. E/z molecular photoswitches activated by two-photon absorption: Comparison between different families

    Molecules, Vol. 26, Núm. 23

2020

  1. Allyl amino-thioxanthone derivatives as highly efficient visible light H-donors and co-polymerizable photoinitiators

    Polymer Chemistry, Vol. 11, Núm. 26, pp. 4297-4312

  2. Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

    Journal of Proteome Research, Vol. 19, Núm. 11, pp. 4291-4315

  3. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

    Journal of Physical Chemistry Letters, Vol. 11, Núm. 14, pp. 5661-5667

  4. The role of CO2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways

    Physical chemistry chemical physics : PCCP, Vol. 22, Núm. 46, pp. 26787-26795

  5. Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

    The journal of physical chemistry letters, Vol. 11, Núm. 21, pp. 9272-9281

2019

  1. Far Red Fluorescent Proteins: Where Is the Limit of the Acylimine Chromophore?

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 7, pp. 4228-4240

  2. From Light Absorption to Cyclization: Structure and Solvent Effects in Donor-Acceptor Stenhouse Adducts

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 866-873

  3. Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 22, pp. 7133-7140

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

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

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

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

  6. Ultrafast dynamics in polycyclic aromatic hydrocarbons: The key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 31, pp. 16981-16988

2017

  1. Reaction dynamics of the chimeric channelrhodopsin

    Scientific Reports, Vol. 7, Núm. 1

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

    Physical Chemistry Chemical Physics