CALCULATION OF THE FAR-INFRARED SPECTRA FOR (HF)2, (HCL)2 AND (HBR)2
Calculations of far-infrared spectra for the weakly bound complexes (HF)2, (HCl)2 and (HBr)2 are reported. For (HF)2 and (HCl)2, potentials fitted to ab initio data are used. Spectra are also predicted using simple classical potentials. The method involves diagonalising the Hamiltonian for the dimer...
Main Authors: | Althorpe, S, Clary, D, Bunker, P |
---|---|
Format: | Journal article |
Language: | English |
Published: |
1991
|
Similar Items
-
Interaction of HF, HBr, HCl and HI molecules with carbon nanotubes
by: Wiem Felah Gtari, et al.
Published: (2018-06-01) -
MODE-SELECTIVE CHEMISTRY IN THE REACTIONS OF OH WITH HBR AND HCL
by: Clary, D, et al.
Published: (1994) -
CALCULATION OF VANDERWAALS SPECTRA FOR H2HF, D2HF, AND H2DF
by: Clary, D, et al.
Published: (1990) -
CLOSE-COUPLING CALCULATIONS ON THE H + BRH-]HBR + H REACTION IN 3 DIMENSIONS
by: Clary, D
Published: (1985) -
AN ABINITIO CALCULATION OF THE LOW ROTATION VIBRATION ENERGIES OF THE CO DIMER
by: Bunker, P, et al.
Published: (1993)