High-level radioactive waste is accumulating at temporary storage locations around the
world and will eventually be placed in deep geological repositories. The waste forms and …

It is known that iron is one of the most widely used metals in industrial production. In this
work, the inhibition performances of three thiophene derivatives on the corrosion of iron …

The anticorrosion potency of Sabic mild steel (MS) in 0.5 M H2SO4 solution was enhanced
by three synthetic non-ionic surfactants (NI Surf.) containing pyridine and pyrimidine …

Two conformers of myricetin obtained through a rotation of a dihedral angle were
characterized by the use of molecular electrostatic potential through DFT calculations …

In this research, hybrid organic-inorganic silica films were applied on the pre-treated AZ91
magnesium alloy by using the dip coating technique. Inorganic precursor …

The computational exploration of chemical reactivity and molecular docking of the
synthesized formazan compounds (S1‐S6) were studied. Further, their antimicrobial activity …

The corrosion inhibiting effect of imidazole derivatives on aluminum was studied using
density functional theory (DFT) calculations to assess the relationship between molecular …

Despite being a precious material in construction and other industries, aluminum is
vulnerable to corrosion in hostile environments. Thus, it must be safeguarded [1, 2]. Metals …

This work evaluates the anticorrosion behavior of a new epoxy resin, ie, Triglycidyl Ether
Ethylamine (TGEEA) for C38 steel in 1.0 M HCl was explored via performing both the …

This computational study assessed eight fixed RSH (range-separated hybrid) density
functionals that include CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and …