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DFT calculations of some antimicrobial active 3,4-dihydro-1,4-benzoxazin-3-one derivatives

Bu çalışmada, beş adet antimikrobiyal etkili etil 3,4-dihidro-6-ve/veya 7-sübstitüe-3-okso-2H-1,4-benzoksazin-2-asetat türevleri DFT ile Becke3LYP/6-31G(d,p) , düzeyinde Gaussian-98 kullanılarak geometrileri optimize edilmiştir. Yapı ve aktivite arasındaki ilişki tartışıldı

Bazı antimikrobiyal etkili 3,4-dihidro-1,4-benzoksazin-3-on türevlerinin DFT hesaplamaları

In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-l,4-benzoxazine-2-acetate derivatives geometrically have been optimized with DFT in Gaussian-98 at the Becke3LYP/6-31G(d,p) level. It was discussed the relationships between structures and their activity.

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