QUÍMICA FÍSICA

2019

1. Synthesis, crystal structure, physico-chemical characterization and theoretical study of a new Pb(II) complex [C 10 H 22 N 2 ] 3 ·PbCl 5 ·3Cl·3H 2 O

   Journal of Molecular Structure, Vol. 1185, pp. 259-267

2. Synthesis, crystal structure, vibrational spectroscopy, DFT, optical study and thermal analysis of a new stannate(IV) complex based on 2-ethyl-6-methylanilinium (C 9 H 14 N) 2 [SnCl 6 ]

   Journal of Molecular Structure, Vol. 1186, pp. 31-38

3. Synthesis, crystal structure, vibrational, optical properties, and a theoretical study of a new Pb(II) complex with bis(1-methylpiperazine-1,4-diium): [C 5 H 14 N 2 ] 2 PbCl 6 ·3H 2 O

   Journal of Coordination Chemistry, Vol. 72, Núm. 2, pp. 358-371

4. A novel hybrid iron fluoride based on 8-hydroxyquinoline: Crystal structure, thermal decomposition, spectroscopic characterization, and magnetic properties

   Inorganica Chimica Acta, Vol. 496

5. Antileishmanial activity of terpenylquinones on Leishmania infantum and their effects on Leishmania topoisomerase IB

   International Journal for Parasitology: Drugs and Drug Resistance, Vol. 11, pp. 70-79

6. Collisional quantum dynamics for MgH- (1Σ+) with he as a buffer gas: Ionic state-changing reactions in cold traps

   Frontiers in Chemistry, Vol. 7, Núm. FEB

7. Competing Dynamical Mechanisms in Inelastic Collisions of H + HF

   Journal of Physical Chemistry A, Vol. 123, Núm. 42, pp. 9079-9088

8. Crystal structure, phase transitions, dielectric and vibrational studies and photoluminescence properties of a new iron fluoride based on bipyridine

   Journal of Solid State Chemistry, Vol. 277, pp. 395-405

9. Effective anticancer activities of an acyclic symmetrical compartmental Schiff base ligand and its Co(II), Cu(II) and Zn(II) complexes against the human leukemia cell line K562

   Polyhedron, Vol. 170, pp. 312-324

10. From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters

    Journal of Physical Chemistry A, Vol. 123, Núm. 38, pp. 8321-8332

11. Highly efficient surface hopping dynamics using a linear vibronic coupling model

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 1, pp. 57-69

12. How reactant polarization can be used to change the effect of interference on reactive collisions

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 26, pp. 14012-14022

13. Impact of CO2+ substitution on microstructure and magnetic properties of COxZn1-xFe2O4 nanoparticles

    Nanomaterials, Vol. 9, Núm. 11

14. In situ X-ray diffraction and the internal friction study of the binary yellow 18-carat gold alloy

    Materials Science and Engineering A, Vol. 759, pp. 514-519

15. Investigation of the order -disorder phase transition series in AuCu by in-situ temperature XRD and mechanical spectroscopy

    Journal of Alloys and Compounds, Vol. 770, pp. 748-754

16. Kinetics of the H + CH2 → CH + H2 Reaction at Low Temperature

    Journal of Physical Chemistry A, Vol. 123, Núm. 34, pp. 7408-7419

17. Magnetic Feshbach resonances in ultracold collisions between Cs and Yb atoms

    Physical Review A, Vol. 100, Núm. 2

18. Modeling state-selective photodetachment in cold ion traps: Rotational state "crowding" in small anions

    Journal of Chemical Physics, Vol. 151, Núm. 14

19. New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(3P) + HCl Reaction and Comparison with Quantum Mechanical and Quasiclassical Trajectory Results

    Journal of Physical Chemistry A, Vol. 123, Núm. 37, pp. 7920-7931

20. New global potential energy surfaces of the ground 3 A ′ and 3 A ″ states of the O(3 P) + H2 system

    Journal of Chemical Physics, Vol. 151, Núm. 9