Konu "DFT" için WoS İndeksli Yayınlar Koleksiyonu listeleme
Toplam kayıt 2, listelenen: 1-2
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The quantum chemical and QSAR studies on acinetobacter baumannii oxphos inhibitors
(Bentham Science Publ Ltd, 2018)Background: Acinetobacter is a Gram-negative, catalase-positive, oxidase-negative, non-motile, and no fermenting bacteria. Objective: In this study, some of the electronic and molecular properties, such as the highest ... -
Theoretical studies on mild steel corrosion inhibition by 5-substituted 1H-tetrazoles in acidic media
(Esg, 2019)In this theoretical study, calculations for the three types of the tetrazole which are 2-(1H-Tetrazole-5-yl)-3-phenylacrylonitrile, 2-(1H-Tetrazole-5-yl)-3-(4-nitrophenylacrylonitrile), and 2-(1H-Tetrazole-5-yl)-3-(4-hydroxyphenyl ...