QSAR, DFT and quantum chemical studies on the inhibition potentials of some carbozones for the corrosion of mild steel in HCl

Journal of Molecular Modeling

Volumn 17, Issue 2, 2011, Pages 359-376

  Eddy, Nnabuk O ^a   Ita, Benedict I ^b  

^a AHMADU BELLO UNIVERSITY   (Nigeria)

^b UNIVERSITY OF CALABAR   (Nigeria)

Author keywords

Carbozones; Corrosion; Experimental and theoretical studies; Inhibition

Indexed keywords

2 (2 HYDROXY 1,2 DIPHENYLETHYLIDENE) N PHENYLHYDRAZINECARBOTHIOAMIDE; 2 (2 OXO 1,2 DIPHENYLETHYLIDENE) N PHENYLHYDRAZINECARBOTHIOAMIDE; 2 (DIPHENYLMETHYLENE) N PHENYLHYDRAZINECARBOTHIOAMIDE; HYDROCHLORIC ACID; N METHYL 2 (1 PHENYLETHYLIDENE)HYDRAZINECARBOTHIOMIDE; THIOAMIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL PARAMETERS; CORRELATION ANALYSIS; CORROSION; DENSITY FUNCTIONAL THEORY; ELECTROPHILICITY; EQUILIBRIUM CONSTANT; GRAVIMETRY; NONHUMAN; NUCLEOPHILICITY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM YIELD; THEORETICAL STUDY; THERMOMETRY;

ADSORPTION; CORROSION; ELECTRONS; HYDRAZONES; HYDROCHLORIC ACID; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STEEL; THIOUREA;

EID: 79551591138     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0731-7     Document Type: Article

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