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Improved morphed potentials for Ar-HBr including scaling to the experimentally determined dissociation energy
- Source :
- Journal of Physical Chemistry A. Sept 15, 2005, Vol. 109 Issue 36, p8168, 12 p.
- Publication Year :
- 2005
-
Abstract
- Potential energy surface based on ab initio calculations are scaled, shifted, and dilated to generate three-dimensional morphed potential for Ar-HBr that reproduces the measured value of D0. These calculations provide a basis for making a comprehensive comparison of the different morphed potentials using the methodologies applied.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 36
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.142334207