Publicaciones en colaboración con investigadores/as de Max Planck Institute for Coal Research (5)

2015

  1. Complexes of nitric oxide with water and imidazole

    Theoretical Chemistry Accounts, Vol. 134, Núm. 7

2013

  1. Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH

    Magnetic Resonance in Chemistry, Vol. 51, Núm. 12, pp. 775-787

  2. Conformational and NMR study of some furan derivatives by DFT methods

    Journal of Molecular Modeling

  3. Theoretical DFT karplus equations: Amino acid side-chain torsion angle χ1

    International Journal of Quantum Chemistry

2011

  1. Communication: Accurate determination of side-chain torsion angle 1 in proteins: Phenylalanine residues

    Journal of Chemical Physics, Vol. 134, Núm. 6