Quantum chemical studies of some pyridine derivatives as corrosion inhibitors

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Ogretir C., Mihci B., Bereket G.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.488, pp.223-231, 1999 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 488
• Publication Date: 1999
• Doi Number: 10.1016/s0166-1280(99)00033-0
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.223-231
• Eskisehir Osmangazi University Affiliated: No

Abstract

Quantum chemical study of the efficiency of some pyridine derivatives as corrosion inhibitors were performed by means of AM1, PM3, MINO/3 and MNDO semi-empirical SCF molecular orbital methods. The agreement with the experimental data was found to be satisfactory. (C) 1999 Elsevier Science B.V. All rights reserved.