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Title

DFT STUDY OF SUBSTITUTED AZOBENZENE AS CORROSION INHIBITORS FOR MILD STEEL

Writers

EKTEFA F. | JAVADIAN S.

Pages

 Start Page | End Page

Abstract

 QUANTUM CHEMICAL APPROACH AT B3LYP/6-31++G (D, P) LEVEL OF THEORY WAS USED TO CALCULATE SOME ELECTRONIC PROPERTIES OF AZO DYE DERIVATIVES, AS MILD STEEL CORROSION INHIBITORS, TO AS CERTAIN THE CORRELATION BETWEEN THEIR INHIBITIVE EFFICIENCIES AND SOME OF THE COMPUTED PARAMETERS. CALCULATIONS OF PREPARED COMPOUNDS GAVE USEFUL INFORMATION TO PREDICT THE INTERACTION BETWEEN THE SURFACE OF METAL AND THE ORGANIC MOLECULES AS CORROSION INHIBITORS.

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