Ab initio study of azolides: Energetic a
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Rosa MarΓA Claramunt; Dionisia Sanz; Ibon Alkorta; JosΓ Elguero; ConceptiΓN Foce
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Article
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2001
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Journal of Heterocyclic Chemistry
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English
β 62 KB
## Abstract We report the __ab initio__ study of twentyβfour azolides derived from pyrrole, imidazole, pyrazole, both triazoles, tetrazole, pentazole, indole and carbazole bearing at the nitrogen atom the groups COMe, CHO, COCF~3~ and CO~2~Me. Theoretical values (isomerism, barriers, dipole moments