Analytical potential for HCP from spectroscopic data
- 1 January 1992
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 88 (11) , 1503-1506
- https://doi.org/10.1039/ft9928801503
Abstract
A potential function for HCP has been derived which reproduces the experimental vibrational energy levels, the geometry and dissociative energy of HCP. There is only a single minimum on this surface and the optimum energy and geometry of the linear structure HPC agrees well with calculated results.Keywords
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