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

DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES :

BAZI ANTİMİKROBİYAL ETKİLİ 3,4-DİHİDRO-l,4-BENZOKSAZİN-3-ON TÜREVLERİNİN DFT HESAPLAMALARI

Pages
165–173
Publication Date
2003-09-01
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

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Objective & Hypothesis:In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-l,4benzoxazine-2-acetate derivatives geometrically have been optimized with DFT in Gaussian-98 at the Becke3LYP/6-31G(d,p) level.
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Key Findings & Data:In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-l,4benzoxazine-2-acetate derivatives geometrically have been optimized with DFT in Gaussian-98 at the Becke3LYP/6-31G(d,p) level.
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Conclusion & Impact:It was discussed the relationships between structures and their activity
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Anahtar Kelimeler Benzoksazinler · DIMBOA · Antimikrobiyal etki

Abstract

In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-l,4benzoxazine-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-okso2H-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

İLKAY, Y. Ö., P., T. G. B. (2003). DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES :. Ankara Üniversitesi Eczacılık Fakültesi Dergisi, Cilt: 32 - Sayı: 3, 165–173. https://ajindex.com/articles/38675

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