Publicaciones (82) Publicaciones en las que ha participado algún/a investigador/a

2022

  1. A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 42, pp. 9883-9888

  2. 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

  3. A chitosan/silica hybrid 3D scaffold for simultaneous entrapment of two different hydrophilic substances

    Materials Letters, Vol. 326

  4. 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

  5. A statistical interpretation of the voltammetry of adsorbed substances under the perspective view of the Digital Video Electrochemistry

    Microchemical Journal, Vol. 181

  6. A theoretical and experimental investigation of hetero-vs. homo-connectivity in barium silicates

    American Mineralogist, Vol. 107, Núm. 4, pp. 716-728

  7. 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

  8. Accurate de novo design of membrane-traversing macrocycles

    Cell, Vol. 185, Núm. 19, pp. 3520-3532.e26

  9. AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures

    Frontiers in Molecular Biosciences, Vol. 9

  10. An all-in-one point-of-care testing device for multiplexed detection of respiratory infections

    Biosensors and Bioelectronics, Vol. 213

  11. 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

  12. 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

  13. 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

  14. Broad-range spin-crossover modulation in guest-responsive 2D Hofmann-type coordination polymers

    Inorganic Chemistry Frontiers, Vol. 10, Núm. 2, pp. 600-611

  15. COVID-19 and the Importance of Being Prepared: A Multidisciplinary Strategy for the Discovery of Antivirals to Combat Pandemics

    Biomedicines, Vol. 10, Núm. 6

  16. Cellulose: Characteristics and applications for rechargeable batteries

    International Journal of Biological Macromolecules, Vol. 219, pp. 788-803

  17. 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

  18. Computational Modelling of Supramolecular Polymers

    Supramolecular Assemblies Based on Electrostatic Interactions (Springer International Publishing), pp. 341-384

  19. Computational discovery of novel anthelmintic natural compounds from Agave Brittoniana trel. Spp. Brachypus

    Bionatura, Vol. 7, Núm. 4

  20. Conformation-dependent thermoelectric power factor of multilayer nanocomposites

    Applied Surface Science, Vol. 594