Failure of the CNDO/2 method for predict
β
A. Veillard
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Article
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1975
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Elsevier Science
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English
β 307 KB
Results from the literature show that the CND0/2 method fails to represent adequately the conformational properties of the molecules &A-BH,, and their substituted derivatives, when both atoms A and B bezr one or two lone pairs. This % in contradicticn with the cIaim that the CNDO/2 method isg~rrcral