Publicaciones en colaboración con investigadores/as de Instituto de Química Médica (2)

2011

  1. Accurate calculation of chemical shifts in highly dynamic H 2@C60 through an integrated quantum mechanics/molecular dynamics scheme

    Organic Letters, Vol. 13, Núm. 10, pp. 2528-2531

2009

  1. The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: A theoretical study

    New Journal of Chemistry, Vol. 33, Núm. 3, pp. 471-478