Artículos (41) Publicaciones en las que ha participado algún/a investigador/a

1996

  1. A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water

    Journal of Computational Chemistry, Vol. 17, Núm. 1, pp. 19-29

  2. A study of coronene-coronene association using atom-atom pair potentials

    International Journal of Quantum Chemistry, Vol. 57, Núm. 4, pp. 567-573

  3. A theoretical determination of the electronic spectrum of Methylenecyclopropene

    Theoretical Chemistry Accounts, Vol. 94, Núm. 3, pp. 143-154

  4. A theoretical study of the dissociation energy of Ni+2 a case of broken symmetry

    Chemical Physics Letters, Vol. 252, Núm. 5-6, pp. 405-414

  5. A theoretical study of the electronic spectrum of terthiophene

    Chemical Physics Letters, Vol. 248, Núm. 5-6, pp. 321-328

  6. Ab initio investigation of icosahedral Si60

    Synthetic Metals, Vol. 77, Núm. 1-3, pp. 13-15

  7. Ab initio study of the internal rotation potential of p-disilanylbenzene and p-(1,1′2,2′-tetramethyldisilanyl)benzene

    Journal of Molecular Structure: THEOCHEM, Vol. 371, Núm. 1-3 SPEC. ISS., pp. 97-105

  8. Allosteric behaviour of a bis-cyclic crown ether derived from biphenyl

    Tetrahedron, Vol. 52, Núm. 38, pp. 12499-12508

  9. Bis-cyclic crown ethers derived from biphenyl. Influence of conformation in complexation of Hg(SCN)2

    Tetrahedron, Vol. 52, Núm. 2, pp. 669-676

  10. Can hydrophobic interactions be correctly reproduced by the continuum models?

    Journal of Physical Chemistry, Vol. 100, Núm. 23, pp. 9955-9959

  11. Charge transport in Prussian Blue films deposited on ITO electrodes

    Electrochimica Acta, Vol. 41, Núm. 6, pp. 835-841

  12. Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution

    Journal of Computational Chemistry, Vol. 17, Núm. 2, pp. 148-155

  13. Correlation effects in proton transfer reactions in solution

    Journal of Molecular Structure: THEOCHEM, Vol. 371, Núm. 1-3 SPEC. ISS., pp. 117-121

  14. Correlation of pharmacological properties of a group of hypolipaemic drugs by molecular topology

    Journal of Pharmacy and Pharmacology, Vol. 48, Núm. 3, pp. 240-244

  15. Crystal and molecular structure and electronic properties of [Cu(HBIP)(BIP)(ONO2)] (HBIP = 3,3-bis(2-imidazolyl)propionic acid)

    Inorganica Chimica Acta, Vol. 248, Núm. 2, pp. 153-158

  16. Crystal structure of 6,6′-dimethoxy-2,2′-diphenyl-19-crown-5 Hg(SCN)2

    Crystal Research and Technology, Vol. 31, Núm. 1, pp. 37-42

  17. Determination of the dissociation constant for a monoprotic acid by simple pH measurements

    Journal of Chemical Education, Vol. 73, Núm. 8, pp. 792-793

  18. Electrochemical study of nafion membranes/prussian blue films on ito electrodes

    Electrochimica Acta, Vol. 41, Núm. 17, pp. 2675-2682

  19. Electronic structure of poly(p-(disilanylene)phenylene)

    Synthetic Metals, Vol. 76, Núm. 1-3, pp. 323-326

  20. Extension of the Flory-Huggins theory to study incompatible polymer blenfds in solution from phase separation data

    Polymer, Vol. 37, Núm. 15, pp. 3361-3372