QUÍMICA FÍSICA

2023

1. A novel ionic-protonic conductor compound based on tellurium: Synthesis, crystal structure, thermal behavior, Hirshfeld surface analysis, electric and vibrational properties

   Inorganic Chemistry Communications, Vol. 157

2. Benchmarking non-adiabatic quantum dynamics using the molecular Tully models

   Physical Chemistry Chemical Physics, Vol. 26, Núm. 3, pp. 1829-1844

3. Bioluminescence, photophysical, computational and molecular docking studies of fully conformationally restricted enamine infraluciferin

   Organic and Biomolecular Chemistry, Vol. 21, Núm. 14, pp. 2941-2949

4. Claves de jóvenes investigadores para iniciar una carrera científica

   Farmajournal, Vol. 8, Núm. 2, pp. 51-52

5. Cold Collisions of Ro-Vibrationally Excited D2 Molecules

   Journal of Physical Chemistry A, Vol. 127, Núm. 7, pp. 1619-1627

6. Collision-induced state-changing rate coefficients for cyanogen backbones NCN 3Σ− and CNN 3Σ− in astrophysical environments

   Physical Chemistry Chemical Physics, Vol. 25, Núm. 44, pp. 30330-30342

7. Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs

   Physical Chemistry Chemical Physics, Vol. 26, Núm. 1, pp. 174-184

8. Crystal structure of 5-(adamantan-1-yl)-3-[(4-{[2-(trifluoromethyl)phenyl]-methyl}piperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, C25H31F3N4OS

   Zeitschrift fur Kristallographie - New Crystal Structures, Vol. 238, Núm. 3, pp. 533-535

9. Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S

   Zeitschrift fur Kristallographie - New Crystal Structures, Vol. 238, Núm. 2, pp. 403-405

10. Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?

    Canadian Journal of Chemistry, Vol. 101, Núm. 9, pp. 745-757

11. Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold

    Chemical Science, Vol. 14, Núm. 38, pp. 10547-10560

12. Improving Properties of Podophyllic Aldehyde-Derived Cyclolignans: Design, Synthesis and Evaluation of Novel Lignohydroquinones, Dual-Selective Hybrids against Colorectal Cancer Cells

    Pharmaceutics, Vol. 15, Núm. 3

13. Kinetic study on the reaction of sodium nitrite with neurotransmitters secreted in the stomach

    Scientific Reports, Vol. 13, Núm. 1

14. Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results

    The journal of physical chemistry. A, Vol. 127, Núm. 33, pp. 6924-6944

15. N-Doped Carbon Nanoparticles as Antibacterial Agents on Escherichia coli: The Role of the Size and Chemical Composition of Nanoparticles

    Coatings, Vol. 13, Núm. 7

16. N′-[(1E)-(4-Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O

    Zeitschrift fur Kristallographie - New Crystal Structures, Vol. 238, Núm. 5, pp. 821-825

17. Phase transitions, thermal, vibrational (FT-IR and Raman) and optical characterizations, dielectric relaxation and electrical conductivity of a cobalt (II) based hybrid material

    Journal of Alloys and Compounds, Vol. 969

18. Rotational state-changes in C5N− by collisions with He and H2

    Monthly Notices of the Royal Astronomical Society, Vol. 522, Núm. 4, pp. 5775-5787

19. Solution Blow Spun Poly(ethylene oxide)/Poly-ϵ-caprolactone System: Properties and Dissolution in Water

    ACS Applied Polymer Materials, Vol. 5, Núm. 8, pp. 6562-6573

20. Spin-Forbidden Addition of Molecular Oxygen to Stable Enol Intermediates—Decarboxylation of 2-Methyl-1-tetralone-2-carboxylic Acid

    International Journal of Molecular Sciences, Vol. 24, Núm. 8