CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

Journal of Molecular Structure: THEOCHEM

Volumn 716, Issue 1-3, 2005, Pages 61-65

  Rodríguez Valdez, Luz María ^a   Martínez Villafañe, Alberto ^a   Glossman Mitnik, Daniel ^a  

^a CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS   (Mexico)

Author keywords

Corrosion inhibitors; DFT; Fukui indices; Molecular properties; Thiatriazoles

Indexed keywords

4 AMINO 1,2,3,5 THIATRIAZOLE; 5 AMINO 1,2,3,4 THIATRIAZOLE; THIAZOLE DERIVATIVE; TRIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CORROSION; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; ENERGY; INFORMATION;

EID: 14744280353     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.082     Document Type: Article

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