An SCF–MO–CNDO study of equilibrium geometries, force constants, and bonding energies: CNDO/BW. Part III. Triatomics and polyatomics
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 1,p. 81-87
- https://doi.org/10.1039/dt9720000081
Abstract
The CNDO/BW theory is applied to triatomic and polyatomic molecules and ions to calculate their spectroscopic ground states, equilibrium geometries, bonding energies, and force constants. The calculated results are compared to the experimental results and the results of other CNDO methods.Keywords
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