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- W2376690722 abstract "In this paper,based on the Quantitative Structure Activity Relationship(QSAR),two organic environment-friendly inhibitor compounds,nicotinic acid(vitamin B3) under the vitamin category,and uniconazole under the triazole category were selected through screening and synthesized.The coulostatic method was also used to study how the anti-corrosion performance of the two inhibitors changed with varied concentrations.Through considering the optimized geometry,total charge density distribution,the highest occupied molecular orbital energy(EHOMO) and the lowest unoccupied molecular orbital energy(ELUMO),energy gap(ΔE=ELUMO EHOMO),and dipole moment(μ),a significant correlation was obtained between corrosion inhibition efficiency and the molecular structure based on a multivariate nonlinear regression technique." @default.
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- W2376690722 date "2012-01-01" @default.
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- W2376690722 title "Selection and rapid evaluation of marine environment-friendly corrosion inhibitors" @default.
- W2376690722 hasPublicationYear "2012" @default.
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