Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systems
โ Scribed by O. Gropen; H.M. Seip
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 605 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
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
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