To determine the inhibition efficiency of a corrosion inhibitor, multiple experimental measurements need to be carried out, which is a time-consuming and resource-intensive task. On the other hand, quantum chemical methods are useful research tools for corrosion scientists. In this study, the corrosion inhibition effects of ampicillin and flucloxacillin at the molecular level were evaluated considering some descriptors by density functional theory (DFT) at B3LYP/6-311++G(d,p) level.
Corrosion inhibition density functional theory ampicillin flucloxacillin
Birincil Dil | İngilizce |
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Konular | Hesaplamalı Kimya |
Bölüm | Research Articles |
Yazarlar | |
Yayımlanma Tarihi | 29 Aralık 2023 |
Kabul Tarihi | 14 Kasım 2023 |
Yayımlandığı Sayı | Yıl 2023 Cilt: 65 Sayı: 2 |
Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
This work is licensed under a Creative Commons Attribution 4.0 International License.