Publicacións en colaboración con investigadores/as de Lund University (7)

2011

  1. The CCSD(T) model with Cholesky decomposition of orbital energy denominators

    International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 349-355

2008

  1. Theoretical pressure and dielectric second virial coefficients of CO-Ar

    Molecular Physics, Vol. 106, Núm. 7, pp. 881-892

2007

  1. Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes

    Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 332-335

2006

  1. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

    Journal of Chemical Physics, Vol. 124, Núm. 20

2003

  1. Ab initio MP2 and DFT study of the thermal syn elimination reaction in ethyl formate

    Journal of Physical Chemistry A, Vol. 107, Núm. 10, pp. 1651-1654

2002

  1. A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl

    Physical Chemistry Chemical Physics, Vol. 4, Núm. 13, pp. 2884-2890

1992

  1. Spin polarization in restricted electronic structure theory: Multiconfiguration self-consistent-field calculations of hyperfine coupling constants

    The Journal of Chemical Physics, Vol. 97, Núm. 5, pp. 3412-3419