DFT calculations of some antimicrobial active 3,4-dihydro-1,4-benzoxazin-3-one derivatives
Ankara Universitesi Eczacilik Fakultesi Dergisi, cilt.32, sa.3, ss.165-173, 2003 (Scopus, TRDizin)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 32 Sayı: 3
- Basım Tarihi: 2003
- Dergi Adı: Ankara Universitesi Eczacilik Fakultesi Dergisi
- Derginin Tarandığı İndeksler: Scopus, TR DİZİN (ULAKBİM)
- Sayfa Sayıları: ss.165-173
- Anahtar Kelimeler: Antimicrobial activity, Becke3LYP/6-3-1G(d,p), Benzoxazines, DFT, DIMBOA
- Ankara Üniversitesi Adresli: Evet
Özet
In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-1,4-benzoxazine-2-acetate derivatives geometrically have been optimized with DFT in Gaussian-98 at the Becke3LYP/6-3IG(d,p) level. It was discussed the relationships between structures and their activity.