Abstract
A study of the energies of BHn compounds (n=1–3), cations and neutrals, using high levels of ab initio molecular orbital theory, including correlation effects beyond fourth-order perturbation theory, is presented. The appearance potentials of BH+, BH+2, and BH+3 are in good agreement with experiment. The results suggest that the experimental dissociation energy and ionization potential of BH may be in error.
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