Publicaciones (28) Publicaciones en las que ha participado algún/a investigador/a

2012

  1. A state-to-state dynamical study of the Br + H 2 reaction: Comparison of quantum and classical trajectory results

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 37, pp. 13067-13075

  2. 3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2, 4-triazole-5(4H)-thione

    Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 8

  3. 5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3, 4-oxadiazole-2(3H)-thione

    Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 7

  4. Communication: Rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H 2 reaction re-visited

    Journal of Chemical Physics, Vol. 137, Núm. 2

  5. Connecting the chemical and biological reactivity of epoxides

    Chemical Research in Toxicology, Vol. 25, Núm. 12, pp. 2755-2762

  6. DNA damage by genotoxic hydroxyhalofuranones: An in silico approach to MX

    Environmental Science and Technology, Vol. 46, Núm. 24, pp. 13463-13470

  7. Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reaction

    Journal of Chemical Physics, Vol. 137, Núm. 9

  8. Dynamics of the D + + H 2 and H + + D 2 reactions: A detailed comparison between theory and experiment

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 10, pp. 3346-3359

  9. Dynamics of the reactions of muonium and deuterium atoms with vibrationally excited hydrogen molecules: Tunneling and vibrational adiabaticity

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 42, pp. 14596-14604

  10. Elucidation of the O( 1D) + HF → F + OH mechanism by means of quasiclassical trajectories

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 47, pp. 16338-16348

  11. Erratum: Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model (Chemical Research in Toxicology (2012) 25:6 (1176-1191) DOI: 10.1021/tx300065v)

    Chemical Research in Toxicology

  12. Fluorescent receptor for dicarboxylates based on pyrrolecarboxamides

    Supramolecular Chemistry, Vol. 24, Núm. 5, pp. 361-368

  13. Functionalization of reduced graphite oxide sheets with a zwitterionic surfactant

    ChemPhysChem, Vol. 13, Núm. 16, pp. 3682-3690

  14. Genotoxic halofuranones in water: Isomerization and acidity of mucohalic acids

    Journal of Physical Organic Chemistry, Vol. 25, Núm. 1, pp. 14-20

  15. H + D 2 reaction dynamics in the limit of low product recoil energy

    Journal of Physical Chemistry Letters, Vol. 3, Núm. 20, pp. 2959-2963

  16. New findings regarding the NO angular momentum orientation in Ar-NO( 2Π 1/2) collisions

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 28, pp. 9826-9837

  17. N′-(Adamantan-2-ylidene)benzohydrazide

    Acta Crystallographica Section E: Structure Reports Online, Vol. 68, Núm. 7

  18. Orientation effects in Cl + H 2 inelastic collisions: Characterization of the mechanisms

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 8, pp. 2911-2920

  19. Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model

    Chemical Research in Toxicology, Vol. 25, Núm. 6, pp. 1176-1191

  20. Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl-N,N-dimethylamine

    Journal of Chemical Sciences, Vol. 124, Núm. 1, pp. 247-253