Abstract
Large basis set gaussian orbital SCF-MO calculations are presented for the hydrogen-bonded complexes formed between HNC, HCP, FCN, ClCN and BrCN with HF, HCl and HBr. Calculated equilibrium geometries, hydrogen bond energies and various one-electron properties are given to supplement available experimental data. Changes in electron distribution on complex formation are discussed in terms of Mulliken population analysis indices.
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