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Volumn 1002, Issue 1-3, 2011, Pages 86-96
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Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid
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Author keywords
Corrosion inhibitors; Density functional theory (DFT); Mild steel; Quantum chemistry; Statistical analysis; Sulphuric acid
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Indexed keywords
A-DENSITY;
AQUEOUS PHASE;
B3LYP/6-31G;
CORROSION INHIBITION EFFICIENCY;
DENSITY FUNCTIONAL THEORY (DFT);
ELECTRON TRANSFER MECHANISMS;
ELECTROPHILICITY INDEX;
EXPERIMENTAL DATA;
INHIBITION EFFECT;
INHIBITION EFFICIENCY;
INTERACTION MECHANISMS;
MOLECULAR AREAS;
MOLECULAR VOLUME;
NON-LINEAR;
ORGANIC MOLECULES;
PROTONATED;
QUANTUM CHEMICAL INVESTIGATION;
QUANTUM CHEMICAL PARAMETERS;
STEEL SURFACE;
TOTAL ENERGY;
CARBON STEEL;
CHEMICAL ANALYSIS;
CORROSION PREVENTION;
CORROSION RESISTANCE;
DENSITY FUNCTIONAL THEORY;
ELECTRON TRANSITIONS;
MOLECULAR STRUCTURE;
QUANTUM CHEMISTRY;
QUANTUM EFFICIENCY;
REGRESSION ANALYSIS;
SULFURIC ACID;
SURFACE STRUCTURE;
CORROSION INHIBITORS;
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EID: 80052273372
PISSN: 00222860
EISSN: None
Source Type: Journal
DOI: 10.1016/j.molstruc.2011.07.003 Document Type: Article |
Times cited : (175)
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References (53)
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