Publicaciones (65) Publicaciones en las que ha participado algún/a investigador/a

1992

  1. A comparative study of the procaine-H+ structures. Interpretation of the procaine hydrochloride spectra by AM1

    Journal of Molecular Structure: THEOCHEM, Vol. 262, Núm. C, pp. 7-20

  2. A perturbation theory of hard quadrupolar fluids

    Molecular Physics, Vol. 75, Núm. 2, pp. 427-442

  3. AM1 study of several diazabicyclanones

    Journal of Molecular Structure: THEOCHEM, Vol. 262, Núm. C, pp. 21-37

  4. Application of cell theory to the thermodynamic properties of hard dumbbell solids

    Molecular Physics, Vol. 77, Núm. 5, pp. 803-821

  5. Brownian dynamics simulation of flexible polymer chains with excluded volume and hydrodynamic interactions. A comparison with Monte Carlo and theoretical results

    Polymer, Vol. 33, Núm. 16, pp. 3477-3481

  6. Chemi-ionization cross-section by time profile measurements under crossed-beam conditions. The Ba + Cl2 → BaCl+ + Cl- reactions

    Journal of Molecular Structure: THEOCHEM, Vol. 258, Núm. 3-4, pp. 271-285

  7. Collective dynamics of liquid carbon tetrachloride studied by inelastic neutron scattering and computer simulation

    The Journal of Chemical Physics, Vol. 96, Núm. 11, pp. 8477-8484

  8. Conformational study of several diazabicyclanols by the AM1 method

    Journal of Molecular Structure: THEOCHEM, Vol. 257, Núm. 3-4, pp. 259-278

  9. Crossover from hydrodynamic to atomic diffusion in liquid selenium: A molecular-dynamics study

    EPL

  10. Effect of double bonds on the dynamics of hydrocarbon chains

    The Journal of Chemical Physics, Vol. 97, Núm. 2, pp. 1240-1249

  11. Effect of temperature and pressure on the protonation of glycine

    Biophysical Journal, Vol. 61, Núm. 5, pp. 1394-1401

  12. Efficient algorithm for the reconstruction of a protein backbone from the α‐carbon coordinates

    Journal of Computational Chemistry, Vol. 13, Núm. 4, pp. 443-456

  13. Electronic structure of and the metal-insulator transition in La1 – xSrxCoO3–δ: A soft-X-ray absorption study

    EPL

  14. Exchange-dependent hybridization at the Pd-Fe interface

    Physical Review B, Vol. 45, Núm. 23, pp. 13823-13826

  15. Experimental and theoretical studies of the equation of state of liquid 2-butyne from 248 to 293 K and pressures up to 104 MPa

    Journal of Physical Chemistry, Vol. 96, Núm. 4, pp. 1932-1938

  16. Experimental methods for reaction threshold determination using molecular beam and laser techniques

    Journal of Physical Chemistry, Vol. 96, Núm. 21, pp. 8212-8219

  17. Femtosecond real-time probing of reactions. IX. Hydrogen-atom transfer

    The Journal of Chemical Physics, Vol. 97, Núm. 12, pp. 9046-9061

  18. Femtosecond vibrational transition-state dynamics in a chemical reaction [1]

    The Journal of Chemical Physics

  19. Ferromagnetic order in ultrathin Rh layers on Fe(100)

    Physical Review B, Vol. 46, Núm. 19, pp. 12888-12891

  20. General discussion

    Journal of the Chemical Society, Faraday Transactions