The CNDO/2 method has been used to rationalize the chemical behaviour of benzyne, benzyne-quinone, 3-nitrobenzyne and 4-nitrobenzyne. An explanation is found in terms of the total charge distribution of the molecules.
R. W. Atkin and T. A. Claxton, Trans. Faraday Soc., 1970, 66, 257 DOI: 10.1039/TF9706600257
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