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Valence-state atoms in molecules. 7. Influence of polarization and bond-charge on spectroscopic constants of diatomic molecules
- Source :
- Journal of Physical Chemistry A. Jan 29, 2004, Vol. 108 Issue 4, p595, 12 p.
- Publication Year :
- 2004
-
Abstract
- The polarizable valence state potential energy curve (pVS-PEC) is derived through the systematic improvement of the valence state potential energy curve (VS-PEC) and is given as U(R) = -[(K1/R) + (K2/R (super 4)) + (K3/R (super 7)) + T/R exp (-Lambda R). The potential is tested on a broad variety of homonuclear diatoms and heteronuclear halides and hydrides.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 108
- Issue :
- 4
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.124327449