QUÍMICA FÍSICA

2018

1. Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca 10 V 6 O 25

   Inorganic Chemistry, Vol. 57, Núm. 24, pp. 15489-15499

2. A Spin-Crossover Molecular Material Describing Four Distinct Thermal Pathways

   Inorganic Chemistry, Vol. 57, Núm. 17, pp. 11019-11026

3. A comparative study of poly(azure A) film-modified disposable electrodes for electrocatalytic oxidation of H2O2: Effect of doping anion

   Polymers, Vol. 10, Núm. 1

4. A new efficient, highly dispersed, Pd nanoparticulate silica supported catalyst synthesized from an organometallic precursor. Study of the homogeneous vs. heterogeneous activity in the Suzuki-Miyaura reaction

   Journal of Catalysis, Vol. 367, pp. 283-295

5. Alzheimer: A decade of drug design. Why molecular topology can be an extra edge?

   Current Neuropharmacology, Vol. 16, Núm. 6, pp. 849-864

6. Amorphous, smart, and bioinspired polyphosphate nano/microparticles: A biomaterial for regeneration and repair of osteo-articular impairments in-situ

   International Journal of Molecular Sciences, Vol. 19, Núm. 2

7. Aplicación de la topología molecular a la búsqueda de análogos del E-β-farneseno para el control de plagas de pulgones

   Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 10, pp. 13-23

8. Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates

   Journal of Physical Chemistry A, Vol. 122, Núm. 4, pp. 1124-1137

9. Biobased Structurally Compatible Polymer Blends Based on Lignin and Thermoplastic Elastomer Polyurethane as Carbon Fiber Precursors

   ACS Sustainable Chemistry and Engineering, Vol. 6, Núm. 7, pp. 8816-8825

10. Bladder cancer recurrence surveillance by urine metabolomics analysis

    Scientific Reports, Vol. 8, Núm. 1

11. Bottom-Up Fabrication of Semiconductive Metal–Organic Framework Ultrathin Films

    Advanced Materials, Vol. 30, Núm. 10

12. Breathing-Dependent Redox Activity in a Tetrathiafulvalene-Based Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 140, Núm. 33, pp. 10562-10569

13. CF3 Substitution of [Cu(P^P)(bpy)][PF6] Complexes: Effects on Photophysical Properties and Light-Emitting Electrochemical Cell Performance

    ChemPlusChem, Vol. 83, Núm. 4, pp. 217-229

14. Catalytic Reaction Mechanism in Native and Mutant Catechol- O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis

    Journal of Physical Chemistry B, Vol. 122, Núm. 38, pp. 8861-8871

15. Cerium-Doped Copper(II) Oxide Hollow Nanostructures as Efficient and Tunable Sensors for Volatile Organic Compounds

    ACS Omega, Vol. 3, Núm. 5, pp. 5029-5037

16. Chemi- and Bioluminescence of Cyclic Peroxides

    Chemical Reviews, Vol. 118, Núm. 15, pp. 6927-6974

17. Chemical Engineering of Photoactivity in Heterometallic Titanium–Organic Frameworks by Metal Doping

    Angewandte Chemie - International Edition, Vol. 57, Núm. 28, pp. 8453-8457

18. Chitosan nanoparticles affect polymorph selection in crystallization of calcium carbonate

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 540, pp. 48-52

19. Colloidally Confined Crystallization of Highly Efficient Ammonium Phosphomolybdate Catalysts

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 27, pp. 23174-23186

20. Computational identification of chemical compounds with potential activity against leishmania amazonensis using nonlinear machine learning techniques

    Current Topics in Medicinal Chemistry, Vol. 18, Núm. 27, pp. 2347-2354