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Theoretical investigation of the conformational behaviour of the formyl group in oxazole- and thiazole-2-carbaldehyde

✍ Scribed by Giorgio Barbieri; Rois Benassi; Ferdinando Taddei


Book ID
113256793
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
614 KB
Volume
184
Category
Article
ISSN
0166-1280

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Using ab initio theoretical approaches, we investigated the relative stability of two of the possible isomers of N-phenylbenzohydroxamic acid, PhCONOHPh. In particular, within the framework of density functional theory (DFT), we studied the cis and trans conformational isomers of PhCONOHPh, both in