Semiempirical and Ab Initio calculation of the molecular structures of substituted N-Benzoylimidazoles
Possible reasons of low reactivities of some N-(2-X-benzoyl) imidazoles utilising ab initio Hartree-Fock calculations have been studied in imidazole-catalyzed hydrolysis. The elucidation of its molecular structures display that the inhibition of resonance, between the carbonyl group and the aromatic...
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| Format: | Article |
| Language: | English |
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Universidade Estadual de Londrina
2001-01-01
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| Series: | Semina: Ciências Exatas e Tecnológicas |
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| Online Access: | http://www.uel.br/revistas/uel/index.php/semexatas/article/view/1526 |