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The Quantum Chemical Calculations of Serine Therionine and Glutamine   
Yazarlar
Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Amin Mohammed
Murat Başaran
Saracoğlu Murat
Can Vurdu
Özet
An examination of quantum chemical and corrosion inhibition studies for three serine (Ser), therionine (Thr) and glutamine (Glu) which had been tested as corrosion safe inhibitors for cold rolled steel (CRS) in 1.0 M HCl solutions at different temperatures (283-333 K) were made to see if any clear links exist between them. The Genetic Function Approximation Method has been used for QSAR study. The correlation between inhibition efficiency and descriptor variables obtained from the quantum chemical calculation using B3LYP/6-311G(d,p), B3LYP/6-311++G(2d,2p), MP2/6-311G(d,p), and CBS-APNO methods. © 2014 The Authors.
Anahtar Kelimeler
Corrosion inhibition | Genetic function approximation method | Glutamine | Serine | Therionine
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 01-2014
Cilt No 9
Sayı 7
Sayfalar 3819 / 3827
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
SCOPUS 15

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