Centro de Estudios Avanzados en Física, Matemáticas y Computación
Research center
University of Wuppertal
Wuppertal, AlemaniaPublications in collaboration with researchers from University of Wuppertal (14)
2010
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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
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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
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PH3 revisited: Theoretical transition moments for the vibrational transitions below 7000 cm- 1
Journal of Molecular Spectroscopy, Vol. 252, Núm. 2, pp. 121-128
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Vibrational energies of PH3 calculated variationally at the complete basis set limit
Journal of Chemical Physics, Vol. 129, Núm. 4
2006
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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
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Theoretical quantitative spectroscopycomputer simulation of molecular spectra
REMOTE SENSING OF THE ATMOSPHERE FOR ENVRIONMENTAL SECURITY
2005
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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
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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
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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
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Theoretical quantitative spectroscopy: Computer simulation of molecular spectra
NATO Security through Science Series C: Environmental Security
2004
2003
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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
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Spectroscopic description of H2O in the su(2) vibron model approximation
Journal of Molecular Spectroscopy, Vol. 214, Núm. 1, pp. 52-68
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Vibrational energies for NH3 based on high level ab initio potential energy surfaces
Journal of Chemical Physics, Vol. 117, Núm. 24, pp. 11265-11276