Theoretical study of corrosion inhibition of amides and thiosemicarbazones
Yazarlar (1)
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Corrosion Science (Q1) | ||
| Dergi ISSN | 0010-938X Dergi Bilgileri (2007) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2007 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2007 |
| Cilt / Sayı / Sayfa | 49 / 5 / 2118–2130 | DOI | 10.1016/j.corsci.2006.10.026 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0010938X06003477 | ||
| UAK Araştırma Alanları |
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| Özet |
| An examination of quantum chemical and corrosion inhibition studies were carried out to investigate whether any clear links exist between the results of quantum chemical calculations and the experimental efficiencies of urea (U), thiourea (TU), acetamide (A), thioacetamide (TA), semicarbazide (SC), thiosemicarbazide (TSC), methoxybenzaldehydethiosemicarbazone (MBTSC), 2-acetylpyridine-(4phenyl) thiosemicarbazone (2AP4PTSC), 2-acetylpyridine-(4-methyl) thiosemicarbazone (2AP4MTSC), benzointhiosemicarbazone (BZOTSC) and benzilthiosemicarbazone (BZITSC) being corrosion inhibitors. The quantum chemical calculations have been performed by using DFT, ab-initio molecular orbital and semi-empirical methods for some amides and thiosemicarbozone derivatives being corrosion inhibitors. The highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (E … |
| Anahtar Kelimeler |
| B. Ab-initio calculations | B. DFT | B. MNDO | C. Corrosion inhibitors |
Science Direct
Theoretical study of corrosion inhibition of amides and thiosemicarbazones
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 16 |
| Google Scholar | 277 |