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Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex

Eugene Kamarchik1, Daniele Toffoli, Ove Christiansen

  • 1Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551, USA.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|June 13, 2013
PubMed

Keywords:
Ab initio calculationsAnharmonic vibrationsComplexesHydrogen bondingIR spectraPotential energy surfaces

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