Publicaciones (106) Publicaciones en las que ha participado algún/a investigador/a

2015

  1. A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β-Ag2MoO4 Induced by Electron Irradiation

    Particle and Particle Systems Characterization, Vol. 32, Núm. 6, pp. 646-651

  2. A columnar liquid crystal with permanent polar order

    Journal of Materials Chemistry C, Vol. 3, Núm. 5, pp. 985-989

  3. A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 40, pp. 10179-10190

  4. A joint experimental and theoretical study on the electronic structure and photoluminescence properties of Al2(WO4)3 powders

    Journal of Molecular Structure, Vol. 1081, pp. 381-388

  5. A new approach for crystallization of copper(II) oxide hollow nanostructures with superior catalytic and magnetic response

    Nanoscale, Vol. 7, Núm. 45, pp. 19250-19258

  6. A new polyphosphate calcium material with morphogenetic activity

    Materials Letters, Vol. 148, pp. 163-166

  7. A surface hopping algorithm for nonadiabatic minimum energy path calculations

    Journal of Computational Chemistry, Vol. 36, Núm. 5, pp. 312-320

  8. Accurate treatment of large supramolecular complexes by double-hybrid density functionals coupled with nonlocal van der waals corrections

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 3, pp. 932-939

  9. Amino-Acid-Based chiral nanoparticles for enantioselective crystallization

    Advanced Materials, Vol. 27, Núm. 17, pp. 2728-2732

  10. Analysis of the structural quality of the CASD-NMR 2013 entries

    Journal of Biomolecular NMR, Vol. 62, Núm. 4, pp. 527-540

  11. Aplicación de topología molecular a la predicción de la actividad frente a Trypanosoma brucei rhodesiense de compuestos bicíclicos derivados de la 4-metilpiperazina

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 7, pp. 27-38

  12. Are there dynamical effects in enzyme catalysis? Some thoughts concerning the enzymatic chemical step

    Archives of Biochemistry and Biophysics, Vol. 582, pp. 42-55

  13. Bent-core liquid crystalline cyanostilbenes: Fluorescence switching and thermochromism

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 17, pp. 11715-11724

  14. Biomimetic vaterite formation at surfaces structurally templated by oligo(glutamic acid) peptides

    Chemical Communications, Vol. 51, Núm. 88, pp. 15902-15905

  15. Blue-emitting pyrene-based aggregates

    Chemical Communications, Vol. 51, Núm. 50, pp. 10142-10145

  16. Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

    European Journal of Medicinal Chemistry, Vol. 96, pp. 238-244

  17. Ceria/Polymer Hybrid Nanoparticles as Efficient Catalysts for the Hydration of Nitriles to Amides

    ACS Applied Materials and Interfaces, Vol. 7, Núm. 20, pp. 10727-10733

  18. Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase

    Angewandte Chemie - International Edition, Vol. 54, Núm. 31, pp. 9016-9020

  19. Chemical structure and reactivity by means of quantum chemical topology analysis

    Computational and Theoretical Chemistry, Vol. 1053, pp. 17-30

  20. Classification of Fruits Proximate and Mineral Content: Principal Component, Cluster, Meta-Analyses

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 7, pp. 39-50