RESMOL
Reactividad y Estructura Molecular - Reactivity and Molecular Structure Group
Publications (67) Publications in which a researcher has participated
2024
-
A predictive screening tool to evaluate the efficiency of Z/E photoisomerizable molecular switches
Communications Physics, Vol. 7, Núm. 1
-
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
-
An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference
Journal of Chemical Theory and Computation, Vol. 19, Núm. 18, pp. 6392-6401
-
Binding of Nitriles and Isonitriles to V(III) and Mo(III) Complexes: Ligand vs Metal Controlled Mechanism
Inorganic Chemistry, Vol. 62, Núm. 27, pp. 10559-10571
-
Electro- and photochemical H2 generation by Co(ii) polypyridyl-based catalysts bearing ortho-substituted pyridines
Sustainable Energy and Fuels, Vol. 7, Núm. 14, pp. 3384-3394
-
Introduction to molecular photophysics
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 3-49
-
Mechano-photochemistry
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 447-471
-
Norbornadiene/Quadricyclane System in the Spotlight: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar-Thermal Building Block
ChemPhotoChem, Vol. 7, Núm. 4
-
Preface
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches
-
Production of Dihydrogen Using Ammonia Borane as Reagent and Pyrazole as Catalyst
ChemPhysChem, Vol. 24, Núm. 17
-
Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants
International Journal of Molecular Sciences, Vol. 24, Núm. 3
-
Reversible Light-Induced Dimerization of Secondary Face Azobenzene-Functionalized β-Cyclodextrin Derivatives
Journal of Organic Chemistry, Vol. 88, Núm. 13, pp. 8674-8689
-
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
-
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches
Elsevier, pp. 1-503
-
Theoretical grounds in molecular photochemistry
Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches (Elsevier), pp. 51-66
-
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue
Physical Chemistry Chemical Physics, Vol. 25, Núm. 6, pp. 5007-5020
2022
-
Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease
International Journal of Molecular Sciences, Vol. 23, Núm. 10
-
Autophagy and evasion of the immune system by SARS-CoV-2. Structural features of the non-structural protein 6 from wild type and Omicron viral strains interacting with a model lipid bilayer
Chemical Science, Vol. 13, Núm. 20, pp. 6098-6105
-
Controlling Antimicrobial Activity of Quinolones Using Visible/NIR Light-Activated BODIPY Photocages
Pharmaceutics, Vol. 14, Núm. 5, pp. 1070
-
Design of Improved Molecular Solar-Thermal Systems by Mechanochemistry: The Case of Azobenzene
Advanced Sustainable Systems, Vol. 6, Núm. 7