W. F. Hwang, H. A. Kuska
1978
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0
Influential Citations
1
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract A conformational analysis of the twist angle in anti - and syn -4-pyrimidinecarboxaldehyde oxime has been carried out using the EHT, INDO and PCILO methods. All three methods predict very low rotation barriers so that in solution a model assuming geometrical flexibility is probably applicable.