Density functional modelling studies of chloride-substituted Schiff bases as corrosion inhibitors: Optimized geometries, atomic charges, solvent and non-linear optical effects
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DOI: 10.1134/s2070205116060241
Abstract: The anti-corrosive properties, optimized geometrical structures, atomic charges, molecular electrostatic potential (MEP) surfaces and non-linear optical (NLO) effects of some chloride-substituted Schiff bases salicylaldimine (R), N-(2-chlorophenyl)salicyaldimine (2Cl–R), N-(3-chlorophenyl)salicyaldimine (3Cl–R) and N-(4-chlorophenyl)salicyaldimine (4Cl–R) have been investigated… read more here.
Keywords: density functional; non linear; substituted schiff; chloride substituted ... See more keywords