Facultad de Química

2003

1. A charge-scaling method to treat solvent in QM/MM simulations

   Theoretical Chemistry Accounts

2. A new model for radical desorption in emulsion polymerization

   Macromolecules, Vol. 36, Núm. 16, pp. 6245-6251

3. A radiopaque polymeric matrix for acrylic bone cements

   Journal of Biomedical Materials Research, Vol. 64, Núm. 1, pp. 44-55

4. A theoretical evaluation of the pKa for twisted amides using density functional theory and dielectric continuum methods

   Journal of Physical Chemistry A, Vol. 107, Núm. 31, pp. 6099-6107

5. AFM approach toward understanding morphologies in toughened thermosetting matrices

   European Polymer Journal, Vol. 39, Núm. 10, pp. 1965-1973

6. Ab initio calculations of the lattice dynamics of boron nitride nanotubes

   Physical Review B - Condensed Matter and Materials Physics, Vol. 68, Núm. 4

7. Ab initio dynamical response of metal monolayers

   Physical Review B - Condensed Matter and Materials Physics, Vol. 67, Núm. 24

8. Air-flux magnetoelastic sensor based on inverse Wiedemann effect of amorphous ribbon

   Sensors and Actuators, A: Physical

9. Alcoholysis as a chain transfer mechanism in palladium catalyzed copolymerization.

   ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

10. Alcoholysis of acylpalladium(II) complexes relevant to the alternating copolymerization of ethene and carbon monoxide and the alkoxycarbonylation of alkenes: The importance of cis-coordinating phosphines

    Journal of the American Chemical Society, Vol. 125, Núm. 18, pp. 5523-5539

11. Alkaline hydrolysis of amide bonds: Effect of bond twist and nitrogen pyramidalization

    Journal of Physical Chemistry A, Vol. 107, Núm. 13, pp. 2304-2315

12. Amino-functionalized latex particles obtained by a multistep method: Development of a new immunoreagent

    Journal of Polymer Science, Part A: Polymer Chemistry, Vol. 41, Núm. 15, pp. 2404-2411

13. An alternative approach towards novel heterocycle-fused 1, 4-diazepin-2-ones by an aromatic amidation protocol

    Tetrahedron, Vol. 59, Núm. 36, pp. 7103-7110

14. Análisis por cromatografía de gases de rocas albienses (Flysch Negro) de la Región Vasco-Cantábrica

    Geogaceta, Núm. 34, pp. 163-166

15. Aplicación de la química computacional al a resolución de problemas químicos

    Anales de Química de la RSEQ, Núm. 2, pp. 215-222

16. Application of finite-state transducers to the acquisition of verb subcategorization information

    Natural Language Engineering, Vol. 9, Núm. 1, pp. 39-48

17. ArF Laser-Induced Chemical Vapor Deposition of Polythiene Films from Carbon Disulfide

    Journal of Physical Chemistry B, Vol. 107, Núm. 36, pp. 9793-9801

18. Assessment of tin and butyltin species in estuarine superficial sediments from Gipuzkoa, Spain

    Chemosphere, Vol. 51, Núm. 8, pp. 643-649

19. Atomic-scale analysis of interfaces in an all-oxide magnetic tunnel junction

    EPJ Applied Physics, Vol. 24, Núm. 3, pp. 215-221

20. Band structure of boron doped carbon nanotubes

    MOLECULAR NANOSTRUCTURES