Publicacións (85) Publicacións nas que participase algún/ha investigador/a

2007

  1. A DFT study of the [4+2] cycloadditions of conjugated ketenes (vinylketene, imidoylketene and formylketene) with formaldimine. The pericyclic or pseudopericyclic character from magnetic properties

    Tetrahedron, Vol. 63, Núm. 23, pp. 4937-4943

  2. A comparative theoretical study of the pericyclic-pseudopericyclic character in a group of cyclizations of dienylketenes to cyclohexadienones

    Journal of Physical Chemistry A, Vol. 111, Núm. 15, pp. 2935-2940

  3. A computational study of the electrocyclization of o-divinylbenzene and derivatives

    Journal of Molecular Structure: THEOCHEM, Vol. 811, Núm. 1-3, pp. 141-151

  4. A computational study on the stacking interaction in quinhydrone

    Journal of Physical Chemistry A, Vol. 111, Núm. 10, pp. 1998-2001

  5. A density functional theory study of the hydrogen bond interactions in glycine dimers

    Chemical Physics Letters, Vol. 445, Núm. 4-6, pp. 117-124

  6. A density functional theory study on pelargonidin

    Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 11100-11109

  7. A dynamical study of the Si+ + H2O reaction

    Journal of Physical Chemistry A, Vol. 111, Núm. 43, pp. 10899-10906

  8. A theoretical study of the influence of BF3 on the reaction path of the [4+2] cycloaddition of vinylketene with formaldimine

    Tetrahedron, Vol. 63, Núm. 47, pp. 11617-11621

  9. An electrochemical model for gold colloid formation via citrate reduction

    Zeitschrift fur Physikalische Chemie, Vol. 221, Núm. 3, pp. 415-426

  10. Approximate transferability in conjugated polyalkenes

    Chemical Physics Letters, Vol. 437, Núm. 1-3, pp. 1-7

  11. Atoms in molecules interpretation of the anomeric effect in the O - C - O unit

    Journal of Computational Chemistry, Vol. 28, Núm. 9, pp. 1516-1530

  12. Binding constants of oxytetracycline to animal feed divalent cations

    Journal of Food Engineering, Vol. 78, Núm. 1, pp. 69-73

  13. Blue-shifting hydrogen bond in the benzene-benzene and benzene-naphthalene complexes

    Journal of Computational Chemistry, Vol. 28, Núm. 2, pp. 540-546

  14. Bonding study in all-metal clusters containing Al4 units

    Journal of Physical Chemistry A, Vol. 111, Núm. 46, pp. 11885-11893

  15. COLL 178-Nanorod-coated PNIPAM microgels: Thermoresponsive optical properties

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  16. COLL 179-New well-defined hybrid materials with thermoresponsive PNIPAM-shells and inorganic nanoparticle-cores

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  17. Characterization of pericyclic reactions using multicenter electron derealization analysis

    ChemPhysChem, Vol. 8, Núm. 5, pp. 696-702

  18. Chemical graph theory and n-center electron delocalization indices: A study on polycyclic aromatic hydrocarbons

    Journal of Computational Chemistry, Vol. 28, Núm. 10, pp. 1625-1633

  19. Chemical sharpening of gold nanorods: The rod-to-octahedron transition

    Angewandte Chemie - International Edition, Vol. 46, Núm. 47, pp. 8983-8987

  20. Chemistry in food: Flavours

    Electronic Journal of Environmental, Agricultural and Food Chemistry, Vol. 6, Núm. 2, pp. 1742-1763