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Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches
(Elsevier, 2022)
Cured epoxy polymers namely 3.30-(phenylazanediyl) bis(1-((6-aminohexyl)amino)propan-2-ol) (EP/
AlA) and 3.30-(phenylazanediyl) bis(1-((4-(4-aminobenzyl)phenyl)amino)propan-2-ol) (EP/ArA) were
used as potential protection ...
Corrosion inhibition of steel using different families of organic compounds: Past and present progress
(2022)
Application of organic compounds as corrosion inhibitors, particularly heterocyclic compounds, is one of
the most economical and effective corrosion mitigation methods of steel alloys. These compounds
become effective ...
Synthesis, characterization, biological and DFT studies of chargetransfer complexes of antihyperlipidemic drug atorvastatin calcium with Iodine, Chloranil, and DDQ
(Elsevier, 2022)
Extremely coloured charge-transfer complexes (CTCs) of antihyperlipidemic drug, atorvastatin calcium
(ATC) acting as n-electron donor with the electron acceptors, namely, iodine as r-acceptor, 2,3,4,6-tetra
chloro-1,4- ...
DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)
(Elsevier, 2022)
Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto
the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations.
Due to ...