QUÍMICA FÍSICA

2019

1. Geometry, electronic structure, morphology, and photoluminescence emissions of BaW 1-x Mo x O 4 (x = 0, 0.25, 0.50, 0.75, and 1) solid solutions: Theory and experiment in concert

   Applied Surface Science, Vol. 463, pp. 907-917

2. In Situ Growth of Bi Nanoparticles on NaBiO 3 , δ-, and β-Bi 2 O 3 Surfaces: Electron Irradiation and Theoretical Insights

   Journal of Physical Chemistry C, Vol. 123, Núm. 8, pp. 5023-5030

3. Phosphane tuning in heteroleptic [Cu(N^N)(P^P)] + complexes for light-emitting electrochemical cells

   Dalton Transactions, Vol. 48, Núm. 2, pp. 446-460

4. Polymorphs of ZnV 2 O 6 under Pressure: A First-Principle Investigation

   Journal of Physical Chemistry C, Vol. 123, Núm. 5, pp. 3239-3253

5. A High-Resolution Thin-Film Fingerprint Sensor Using a Printed Organic Photodetector

   Advanced Materials Technologies, Vol. 4, Núm. 11

6. A combinatorial approach to improving the performance of azoarene photoswitches

   Beilstein Journal of Organic Chemistry, Vol. 15, pp. 2753-2764

7. A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules

   Physical Chemistry Chemical Physics, Vol. 21, Núm. 21, pp. 10908-10913

8. A molecular dynamics study on the role of the protonation state in the biosynthesis of R-PAC by AHAS

   Chemical Physics Letters, Vol. 716, pp. 247-251

9. A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters

   Physical Chemistry Chemical Physics, Vol. 21, Núm. 24, pp. 12916-12923

10. Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, y = Cl, Br, and I): Molecules of interest in the Earth's atmosphere

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 1, pp. 455-467

11. Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites

    ACS Energy Letters, Vol. 4, Núm. 6, pp. 1321-1327

12. Acid-base behaviour and binding to double stranded DNA/RNA of benzo[g]phthalazine-based ligands

    New Journal of Chemistry, Vol. 43, Núm. 2, pp. 700-708

13. Active control of plasmonic colors: Emerging display technologies

    Reports on Progress in Physics, Vol. 82, Núm. 2

14. An approach to identify new antihypertensive agents using Thermolysin as model: In silico study based on QSARINS and docking

    Arabian Journal of Chemistry, Vol. 12, Núm. 8, pp. 4861-4877

15. Aplicación de la topología molecular al análisis de la actividad antimalárica de 4-Aminobiciclo [2.2.2]Octan-2 il 4-Aminobutanoatos y sus análogos etanoatos y propanoatos

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 11, pp. 51-65

16. Assembly-Induced Bright-Light Emission from Solution-Processed Platinum(II) Inorganic Polymers

    ACS Omega, Vol. 4, Núm. 6, pp. 10192-10204

17. Azole-containing cationic bis-cyclometallated iridium(iii) isocyanide complexes: A theoretical insight into the emission energy and emission efficiency

    Dalton Transactions, Vol. 48, Núm. 26, pp. 9725-9733

18. Bio-derived Carbon Nanofibres from Lignin as High-Performance Li-Ion Anode Materials

    ChemSusChem, Vol. 12, Núm. 19, pp. 4516-4521

19. Carbon Nanotubes Conjugated with Triazole-Based Tetrathiafulvalene-Type Receptors for C60 Recognition

    ChemPlusChem, Vol. 84, Núm. 6, pp. 730-739

20. Carbon fibres from renewable resources: The role of the lignin molecular structure in its blendability with biobased poly(ethylene terephthalate)

    Green Chemistry, Vol. 21, Núm. 18, pp. 5063-5072