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Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the [F.sup.-]-C[H.sub.4] anion complex
- Source :
- Journal of Physical Chemistry A. August 14, 2008, Vol. 112 Issue 32, 7466-7472
- Publication Year :
- 2008
-
Abstract
- The vibrational configuration interaction (VCI) methods as implemented in multimode was used to study the equilibrium structure, vibrational spectroscopy and the dissociation energy of the [F.sup.-]-C[H.sub.4] anion complex. The results obtained for potential energy surface (PES) and dipole moment surface (DMS) variational vibrational calculations could be used to obtain converged vibrational energy levels and intensities for future systems.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 112
- Issue :
- 32
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.185266350