Analytical potentials for triatomic molecules from spectroscopic data
- 1 May 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 35 (5) , 1325-1336
- https://doi.org/10.1080/00268977800100981
Abstract
Analytic functions have been derived for the potential energy surfaces of the ground states of HCN (HNC) and HSiN(HNSi) using a combination of spectroscopic data and ab initio calculations. The potentials derived give no barrier to the approach of H to CN at any angle, but there is a barrier when H approaches SiN, this being larger at the Si end.Keywords
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