Publicaciones (116) Publicaciones en las que ha participado algún/a investigador/a

2017

  1. "Though it be but little, it is fierce": Excited state engineering of conjugated organic materials by fluorination

    Journal of Physical Chemistry Letters, Vol. 8, Núm. 1, pp. 91-101

  2. A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach

    Chemical Physics Letters, Vol. 677, pp. 30-34

  3. A Voltammetric Electronic Tongue for the Quantitative Analysis of Quality Parameters in Wastewater

    Electroanalysis, Vol. 29, Núm. 4, pp. 1147-1153

  4. A probe of steric ligand substituent effects on the spin crossover of Fe(II) complexes

    Inorganic Chemistry Frontiers, Vol. 4, Núm. 8, pp. 1374-1383

  5. Adaptive Finite Temperature String Method in Collective Variables

    Journal of Physical Chemistry A, Vol. 121, Núm. 51, pp. 9764-9772

  6. Advances in computational photochemistry and chemiluminescence of biological and nanotechnological molecules

    Photochemistry, Vol. 44, pp. 16-60

  7. Ageing effect on the electrochemical properties in poly(azure A) films

    Journal of the Electrochemical Society, Vol. 164, Núm. 9, pp. H593-H602

  8. Alternating current electrogravimetry of copper electrodissolution in a sulfuric acid solution

    Electrochimica Acta, Vol. 235, pp. 374-383

  9. An experimental and theoretical investigation on the optical and photocatalytic properties of ZnS nanoparticles

    Journal of Physics and Chemistry of Solids, Vol. 103, pp. 179-189

  10. Analysis for the morphology prediction of materials from first principles calculations

    Crystal Growth: Concepts, Mechanisms and Applications (Nova Science Publishers, Inc.), pp. 119-164

  11. Aplicación de la Topología Molecular en la búsqueda de nuevos compuestos basados en Azaauronas derivados de las Auronas naturales como potenciales antimaláricos

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 9, pp. 49-62

  12. Blue-emitting cationic iridium(III) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices

    Journal of Materials Chemistry C, Vol. 5, Núm. 37, pp. 9638-9650

  13. Bridging structure and real-space topology: Understanding complex molecules and solid-state materials

    Recent Advances in Complex Functional Materials: From Design to Application (Springer International Publishing), pp. 427-454

  14. Calculation of restricted volume for nanoparticles that can point.

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 9, pp. 25-38

  15. Chapter 3: A Transition State Theory Perspective for Enzymatic Reactions: Fundamentals and Applications

    RSC Theoretical and Computational Chemistry Series (Royal Society of Chemistry), pp. 54-88

  16. Chiral and Racemic Spin Crossover Polymorphs in a Family of Mononuclear Iron(II) Compounds

    Inorganic Chemistry, Vol. 56, Núm. 21, pp. 13535-13546

  17. Complexation and electronic communication between corannulene-based buckybowls and a curved truxene-TTF donor

    Chemistry - A European Journal, Vol. 23, Núm. 15, pp. 3666-3673

  18. Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles

    ACS Catalysis, Vol. 7, Núm. 6, pp. 3949-3954

  19. Controlling hydrophobicity of silica nanocapsules prepared from organosilanes

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 532, pp. 172-177

  20. Controlling the Host–Guest Interaction Mode through a Redox Stimulus

    Angewandte Chemie - International Edition, Vol. 56, Núm. 51, pp. 16272-16276