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.
R. J. Boyd and M. A. Whitehead, J. Chem. Soc., Dalton Trans., 1972, 81 DOI: 10.1039/DT9720000081
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