Quantum chemical studies of some pyridine derivatives as corrosion inhibitors

Authors
Ogretir, C Mihci, B Bereket, G
Citation
C. Ogretir et al., Quantum chemical studies of some pyridine derivatives as corrosion inhibitors, THEOCHEM, 488, 1999, pp. 223-231
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
01661280 → ACNP
Volume
488
Year of publication
1999
Pages
223 - 231
Database
ISI
SICI code
0166-1280(19991001)488:<223:QCSOSP>2.0.ZU;2-Q
Abstract
Quantum chemical study of the efficiency of some pyridine derivatives as co rrosion inhibitors were performed by means of AM1, PM3, MINO/3 and MNDO sem i-empirical SCF molecular orbital methods. The agreement with the experimen tal data was found to be satisfactory. (C) 1999 Elsevier Science B.V. All r ights reserved.