DFT theoretical study of 7-R-3methylquinoxalin-2(1H)-thiones (RH; CH3; Cl) as corrosion inhibitors in hydrochloric acid

Corrosion Science

Volumn 68, Issue , 2013, Pages 223-230

  El Adnani, Z ^a   Mcharfi, M ^a   Sfaira, M ^a   Benzakour, M ^a   Benjelloun, A T ^a   Ebn Touhami, M ^b  

^a SIDI MOHAMED BEN ABDELLAH UNIVERSITY   (Morocco)

^b IBN TOFAIL UNIVERSITY   (Morocco)

Author keywords

Corrosion inhibitors; Density Functional Theory (DFT); Fukui functions; PCM model; Quinoxaline

Indexed keywords

ACIDIC MEDIA; ADSORPTION SITE; B3LYP/6-31G; DENSITY FUNCTIONAL THEORIES (DFT); FUKUI FUNCTIONS; GLOBAL REACTIVITY DESCRIPTORS; PCM MODEL; QUANTUM CHEMICAL APPROACH; QUINOXALINE DERIVATIVES; QUINOXALINES; SULPHUR ATOMS; THEORETICAL STUDY; THIONES;

ADSORPTION; CARBON STEEL; CORROSION INHIBITORS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDROCHLORIC ACID; QUANTUM CHEMISTRY; SULFUR;

CHLORINE;

EID: 84872150847     PISSN: 0010938X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.corsci.2012.11.020     Document Type: Article

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