Publications by the researcher in collaboration with ALEJANDRO GAITA ARIÑO (2)

2003

  1. Ab initio calculations of the transfer parameters and coulombic repulsion and estimation of their effects on the electron delocalization and magnetic coupling in mixed-valence Keggin polyoxotungstates

    Polyhedron

2002

  1. Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequences on the spin coupling

    Journal of the American Chemical Society, Vol. 124, Núm. 50, pp. 15134-15140