Publicaciones en colaboración con investigadores/as de University of Wuppertal (14)

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

  2. Theoretical quantitative spectroscopycomputer simulation of molecular spectra

    REMOTE SENSING OF THE ATMOSPHERE FOR ENVRIONMENTAL SECURITY

2005

  1. Dipole moment and rovibrational intensities in the electronic ground state of N H3: Bridging the gap between ab initio theory and spectroscopic experiment

    Journal of Chemical Physics, Vol. 122, Núm. 10

  2. 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

  3. 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

  4. Theoretical quantitative spectroscopy: Computer simulation of molecular spectra

    NATO Security through Science Series C: Environmental Security

2004

  1. High-resolution infrared and microwave study of10BF 2OH and11BF2OH: The 51, 6 1, 71, 81, 91 and 8 191 vibrationally excited states

    Molecular Physics

2003

  1. Potential parameters of PH3 obtained by simultaneous fitting of ab initio data and experimental vibrational band origins

    Chemical Physics, Vol. 290, Núm. 1, pp. 59-67

2002

  1. Spectroscopic description of H2O in the su(2) vibron model approximation

    Journal of Molecular Spectroscopy, Vol. 214, Núm. 1, pp. 52-68

  2. Vibrational energies for NH3 based on high level ab initio potential energy surfaces

    Journal of Chemical Physics, Vol. 117, Núm. 24, pp. 11265-11276