Publicaciones (76) Publicaciones en las que ha participado algún/a 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 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

  5. Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene

    Journal of Molecular Modeling, Vol. 13, Núm. 8, pp. 919-926

  6. Ab initio and RRKM study of the elimination of HF and HCl from chlorofluoroethylene

    Chemical Physics Letters, Vol. 435, Núm. 4-6, pp. 176-181

  7. Adsorption of a soil humic acid at the surface of goethite and its competitive interaction with phosphate

    Geoderma, Vol. 138, Núm. 1-2, pp. 12-19

  8. Analysis of the variable charge of two organic soils by means of the NICA-Donnan model

    European Journal of Soil Science, Vol. 58, Núm. 6, pp. 1358-1363

  9. Application of the pseudophase ion-exchange model to reactivity in quaternary water in oil microemulsions

    New Journal of Chemistry, Vol. 31, Núm. 6, pp. 860-870

  10. Binding constants of oxytetracycline to animal feed divalent cations

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

  11. Change in the acid hydrolysis mechanism of esters enforced by strongly acid microemulsions

    Journal of Physical Chemistry B, Vol. 111, Núm. 39, pp. 11437-11442

  12. Chemical dynamics simulations of CO2 scattering off a fluorinated self-assembled monolayer surface

    Journal of Physical Chemistry C, Vol. 111, Núm. 1, pp. 354-364

  13. Chemistry in food: Flavours

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

  14. Concentrated reverse micelles in a random graft block copolymer system: Structure and in-situ synthesis of silver nanoparticles

    Colloid and Polymer Science, Vol. 285, Núm. 6, pp. 673-680

  15. Control on the dispersion of gold nanoparticles in an epoxy network

    Journal of Non-Crystalline Solids, Vol. 353, Núm. 8-10, pp. 826-828

  16. Controlling multiple fluorescent signal output in cyclic peptide-based supramolecular systems

    Journal of the American Chemical Society, Vol. 129, Núm. 6, pp. 1653-1657

  17. Correlated double-proton transfer. I. Theory

    Journal of Chemical Physics, Vol. 127, Núm. 17

  18. Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes

    Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 332-335

  19. Crystal structure of chenodeoxycholic acid, ursodeoxycholic acid and their two 3β,7α- and 3β,7β-dihydroxy epimers

    Steroids, Vol. 72, Núm. 6-7, pp. 535-544

  20. DFT study of the nucleophilic addition of water to ketenes

    European Journal of Organic Chemistry, pp. 2344-2351