Departament
QUÍMICA FÍSICA
Publicaciones (82) Publicaciones en las que ha participado algún/a investigador/a
2022
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A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity
Journal of Physical Chemistry Letters, Vol. 13, Núm. 42, pp. 9883-9888
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A Physical Cognitive Assistant for Monitoring Hand Gestures Exercises
Bio-inspired Systems and Applications: from Robotics to Ambient Intelligence: 9th International Work-Conference on the Interplay Between Natural and Artificial Computation, IWINAC 2022, Puerto de la Cruz, Tenerife, Spain, May 31 – June 3, 2022, Proceedings, Part II (Springer Suiza), pp. 13-23
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A chitosan/silica hybrid 3D scaffold for simultaneous entrapment of two different hydrophilic substances
Materials Letters, Vol. 326
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A multiscale free energy method reveals an unprecedented photoactivation of a bimetallic Os(ii)-Pt(ii) dual anticancer agent
Physical Chemistry Chemical Physics, Vol. 24, Núm. 32, pp. 19584-19594
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A statistical interpretation of the voltammetry of adsorbed substances under the perspective view of the Digital Video Electrochemistry
Microchemical Journal, Vol. 181
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A theoretical and experimental investigation of hetero-vs. homo-connectivity in barium silicates
American Mineralogist, Vol. 107, Núm. 4, pp. 716-728
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Accurate Calculation of Excited-State Absorption for Small-to-Medium-Sized Conjugated Oligomers: Multiconfigurational Treatment vs Quadratic Response TD-DFT
Journal of Chemical Theory and Computation, Vol. 18, Núm. 9, pp. 5449-5458
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Accurate de novo design of membrane-traversing macrocycles
Cell, Vol. 185, Núm. 19, pp. 3520-3532.e26
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AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures
Frontiers in Molecular Biosciences, Vol. 9
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An all-in-one point-of-care testing device for multiplexed detection of respiratory infections
Biosensors and Bioelectronics, Vol. 213
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Aplicación de la topología molecular a la predicción de la actividad repelente de un grupo de carboxiamidas frente a Aedes aegypti
Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 14, pp. 73-88
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Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature Communications, (2018), 9, 1, (4796), 10.1038/s41467-018-07075-3)
Nature Communications
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Bidentate Pyridyl-NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism
European Journal of Inorganic Chemistry, Vol. 2022, Núm. 7
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Broad-range spin-crossover modulation in guest-responsive 2D Hofmann-type coordination polymers
Inorganic Chemistry Frontiers, Vol. 10, Núm. 2, pp. 600-611
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COVID-19 and the Importance of Being Prepared: A Multidisciplinary Strategy for the Discovery of Antivirals to Combat Pandemics
Biomedicines, Vol. 10, Núm. 6
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Cellulose: Characteristics and applications for rechargeable batteries
International Journal of Biological Macromolecules, Vol. 219, pp. 788-803
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Coexistence of luminescence and spin-crossover in 2D iron(ii) Hofmann clathrates modulated through guest encapsulation
Journal of Materials Chemistry C, Vol. 10, Núm. 29, pp. 10686-10698
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Computational Modelling of Supramolecular Polymers
Supramolecular Assemblies Based on Electrostatic Interactions (Springer International Publishing), pp. 341-384
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Computational discovery of novel anthelmintic natural compounds from Agave Brittoniana trel. Spp. Brachypus
Bionatura, Vol. 7, Núm. 4
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Conformation-dependent thermoelectric power factor of multilayer nanocomposites
Applied Surface Science, Vol. 594