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Journals / Ankara Üniversitesi Eczacılık Fakültesi Dergisi / 2003 / Cilt: 32 - Sayı: 3

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

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

Yıldız İlkay ÖREN
Tekiner Betül P. GÜLBAŞ
Pages
165–173
Publication Date
2022-10-10
DOI
—
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

It was discussed the relationships between structures and their activity.

📌 3 Key Takeaways

🎯
Objective & Hypothesis: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.
📊
Key Findings & Data: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.
💡
Conclusion & Impact:It was discussed the relationships between structures and their activity.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

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.

Özet

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

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Cite This Article

ÖREN, Y. İ., GÜLBAŞ, T. B. P. (2022). Bazı antimikrobiyal etkili 3,4-dihidro-1,4-benzoksazin-3-on türevlerinin DFT hesaplamaları. Ankara Üniversitesi Eczacılık Fakültesi Dergisi, Cilt: 32 - Sayı: 3, 165–173. https://ajindex.com/articles/442541

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