Publicaciones en colaboración con investigadores/as de Universitat Rovira i Virgili (9)

1998

  1. PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid

    Journal of Computer-Aided Molecular Design, Vol. 12, Núm. 3, pp. 259-273

1997

  1. Novel mechanisms for core level shifts in organic compounds

    Journal of Electron Spectroscopy and Related Phenomena, Vol. 83, Núm. 2-3, pp. 151-158

  2. The importance of 2s bonding contributions for the core level binding energies in organic compounds

    Chemical Physics Letters, Vol. 272, Núm. 3-4, pp. 168-172

  3. The interpretation of X-ray photoelectron spectra of pyrolized S-containing carbonaceous materials

    Fuel, Vol. 76, Núm. 14-15, pp. 1347-1352

1996

  1. Consequences of chemical bonding on the adiabaticity of gas - Surface reactions

    Journal of Molecular Structure: THEOCHEM, Vol. 371, Núm. 1-3 SPEC. ISS., pp. 257-267

  2. Origin of the large N 1s binding energy in X-ray photoelectron spectra of calcined carbonaceous materials

    Journal of the American Chemical Society, Vol. 118, Núm. 34, pp. 8071-8076

  3. Vibrations of CO on strained Cu(100) surfaces. A cluster model analysis

    Chemical Physics Letters, Vol. 259, Núm. 3-4, pp. 438-444

1993

  1. The ionicity of halogens chemisorbed on mercury revisited

    Journal of Electroanalytical Chemistry, Vol. 359, Núm. 1-2, pp. 105-113

  2. Towards an ab initio description of magnetism in ionic solids

    Physical Review Letters, Vol. 71, Núm. 21, pp. 3549-3552