Accurate Global Potential Energy Surface and Reaction Dynamics for the Ground State of HgBr 2
โ Scribed by Balabanov, Nikolai B.; Shepler, Benjamin C.; Peterson, Kirk A.
- Book ID
- 121507675
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 227 KB
- Volume
- 109
- Category
- Article
- ISSN
- 1089-5639
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๐ SIMILAR VOLUMES
The potential energy surface for the electronic ground state of CO 2 is refined by means of a two-step variational procedure using the exact rovibrational Hamiltonian in the bond length-bond angle coordinates. In the refinement, the observed rovibrational energy levels for J = 0-4 below 16,000 cm -1
A quasxlassical traJectory study of the thcrmoneutral isotopic o\ygcn exchange reaction was made usmg a recently rcported potentnl cncrgy surface for the ground state of ozone. The calcubtcd macroscopic rPlc constsnls show an Improvcmcnt over the previous quasiclassical results when compared Hilth t