Publikationen in Zusammenarbeit mit Forschern von Aarhus University (19)

2014

  1. The Dalton quantum chemistry program system

    Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284

2008

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

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

2003

  1. Benzene-argon triplet intermolecular potential energy surface

    Journal of Chemical Physics, Vol. 119, Núm. 9, pp. 4762-4767

1998

  1. MCSCF polarizability and hyperpolarizabilities of HCl and HBr

    Chemical Physics Letters, Vol. 288, Núm. 5-6, pp. 677-688

  2. The benzene-argon complex: A ground and excited state ab initio study

    Journal of Chemical Physics, Vol. 108, Núm. 7, pp. 2784-2790

1997

  1. Hyperfine and nuclear quadrupole coupling in chlorine and fluorine dioxides

    Journal of Chemical Physics, Vol. 106, Núm. 5, pp. 1847-1855

1995

  1. Evaluation of hyperfine coupling tensors of the BeH and BeF radicals

    Chemical Physics Letters, Vol. 232, Núm. 5-6, pp. 463-471

1993

  1. Calculation of hyperfine coupling constants of the CN and CP ground state radicals

    The Journal of Chemical Physics, Vol. 98, Núm. 9, pp. 7012-7019

  2. Calculation of hyperfine coupling constants of the ground state X 3Σ- of NH and B2

    The Journal of Chemical Physics, Vol. 99, Núm. 8, pp. 5995-6003

  3. Interpretation of the hyperfine coupling constants of the boron trimer in rare-gas matrices

    Journal of Chemical Physics, Vol. 98, Núm. 4, pp. 3060-3065