Publicacions en col·laboració amb investigadors/es de Max Planck Institute for Coal Research (8)

2010

  1. A theoretical-spectroscopy, ab initio-based study of the electronic ground state of 121SbH3

    Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 111, Núm. 15, pp. 2279-2290

2008

  1. Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of 14 NH3+

    Chemical Physics, Vol. 346, Núm. 1-3, pp. 146-159

  2. PH3 revisited: Theoretical transition moments for the vibrational transitions below 7000 cm- 1

    Journal of Molecular Spectroscopy, Vol. 252, Núm. 2, pp. 121-128

  3. Vibrational energies of PH3 calculated variationally at the complete basis set limit

    Journal of Chemical Physics, Vol. 129, Núm. 4

2006

  1. Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

    Journal of Molecular Spectroscopy, Vol. 239, Núm. 1, pp. 71-87

2005

  1. Rotation-Vibration Motion of Pyramidal XY3 Molecules Described in the Eckart Frame: The Calculation of Intensities with Application to NH3

    Advances in Quantum Chemistry, Vol. 48, pp. 209

  2. Rotation-vibration motion of pyramidal XY3 molecules described in the Eckart frame: Theory and application to NH3

    Molecular Physics, Vol. 103, Núm. 2-3, pp. 359-378

  3. Theoretical quantitative spectroscopy: Computer simulation of molecular spectra

    NATO Security through Science Series C: Environmental Security