Publicaciones en colaboración con investigadores/as de Université de Genève (12)

2011

  1. Complete vs restricted active space perturbation theory calculation of the Cr2 potential energy surface

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 6, pp. 1640-1646

2010

  1. Equilibrium mercury isotope fractionation between dissolved Hg(II) species and thiol-bound Hg

    Environmental Science and Technology, Vol. 44, Núm. 11, pp. 4191-4197

  2. Ionization energies for the actinide mono- and dioxides series, from Th to Cm: Theory versus experiment

    Journal of Physical Chemistry A, Vol. 114, Núm. 19, pp. 6007-6015

2009

  1. Binding motifs for lanthanide hydrides: A combined experimental and theoretical study of the MH x(H 2) y species (M = La-Gd; x = 1-4; y = 0-6)

    Journal of Physical Chemistry A, Vol. 113, Núm. 11, pp. 2446-2455

  2. Matrix infrared spectroscopic and computational investigation of late lanthanide metal hydride species MHx(H2)y (M = Tb-Lu, x = 1-4, y = 0-3)

    Journal of Physical Chemistry A, Vol. 113, Núm. 45, pp. 12566-12572

  3. The Chemiionization Reactions Ce + O and Ce + O2: Assignment of the observed chemielectron bands

    International Journal of Quantum Chemistry, Vol. 109, Núm. 10, pp. 2068-2079

2008

  1. A theoretical study of the ground state and lowest excited states of PuO0/+/+2 and PuO20/+/+2

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 48, pp. 7278-7283

  2. Infrared spectra of the WH4(H2)4 complex in solid hydrogen

    Journal of the American Chemical Society, Vol. 130, Núm. 6, pp. 1972-1978

  3. Is fullerene C60 large enough to host a multiply bonded dimetal?

    Journal of the American Chemical Society, Vol. 130, Núm. 23, pp. 7459-7465

  4. The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods

    Journal of the American Chemical Society, Vol. 130, Núm. 3, pp. 1048-1060

  5. Theoretical study of the gas-phase chemiionization reactions La + O and La + O2

    Journal of Physical Chemistry A, Vol. 112, Núm. 34, pp. 7825-7830

2007

  1. Experimental and theoretical evidence for U(C 6H 6) and Th(C 6H 6) complexes

    Journal of Physical Chemistry A, Vol. 111, Núm. 47, pp. 11996-12000