Non-empirical LCAO–MO–SCF calculations using Gaussian basis sets were used to predict the geometry of the acetylide ion, proton affinities of 547·5, 391·6, and 166·1 kcal/mole being computed for C22–, C2H–, and C2H2, respectively.
A. C. Hopkinson and I. G. Csizmadia, J. Chem. Soc. D, 1971, 1291 DOI: 10.1039/C29710001291
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