Anti-corrosion characteristics of ampicillin and flucloxacillin drugs: A theoretical study
Küçük Resim Yok
Tarih
2023
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Ankara Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Computational Chemistry, Hesaplamalı Kimya
Kaynak
Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
Communications Faculty of Sciences University of Ankara Series B Chemistry and Chemical Engineering
WoS Q Değeri
Scopus Q Değeri
Cilt
65
Sayı
2
