Publicaciones en colaboración con investigadores/as de Universidade de São Paulo (4)

2005

  1. Acid-base and electronic structure-dependent properties of hoechst 33342

    Journal of Biomolecular Structure and Dynamics, Vol. 23, Núm. 1, pp. 29-36

  2. DFT-GIAO study of aryltetralin lignan lactones: Conformational analyses and chemical shifts calculations

    Bioorganic Chemistry, Vol. 33, Núm. 6, pp. 484-492

2001

  1. Calculated and experimental NMR chemical shifts of p-menthane-3,9-diols. A combination of molecular dynamics and quantum mechanics to determine the structure and the solvent effects

    Journal of Organic Chemistry, Vol. 66, Núm. 11, pp. 3775-3782

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