Molecular orbital electronegativity

Böhm, M. C. ; Sen, K. D. ; Schmidt, P. C. (1981) Molecular orbital electronegativity Chemical Physics Letters, 78 (2). pp. 357-360. ISSN 0009-2614

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The molecular orbital electronegativities of a representative set of free radicals of Be, BC, N and O have been calculated for the first time using the transition operator method within the semi-empirical CNDO LCAO MO theory. The significance of the effect of delocalization on electronegativity is discussed.

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