Search
Now showing items 31-40 of 61
Anisole derivatives as sustainable-green inhibitors for mild steel corrosion in 1 M HCl: DFT and molecular dynamic simulations approach
(2021)
he search for new corrosion inhibitors, inexpensive and environmentally friendly as alternatives to various harmful synthetic compounds is one of the main challenges facing the chemical industry today. Hence, this work ...
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
(2021)
Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are pro-posed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well ...
Strontium Stannate as an Alternative Anode Material for Li-Ion Batteries
(2021)
Although strontium stannate (SrSnO3) has been considered as an anode for Li-ion batteries, a deep understanding of its Li-ion transport properties remains lacking. In this work, the structural, electronic, mechanical, and ...
Organıc and Inorganıc Corrosıon Inhıbıtors
(2021)
Corrosion is one of the important challenges in the contemporary world, especially, after the introduction of technology into our lives following the industrial revolu-tion, though it has been known and some techniques ...
Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from lawsone
(5 June 202)
Some metabolic enzyme inhibitors can be used as Multi-target-Directed-Ligands (MTDL) in Medicinal chemistry therefore, synthesis and determination of alternative inhibitors are essential. In this study, novel bisnapthoquinone ...
Synthesis of (4R)-2-(3-hydroxyphenyl)thiazolidine- 4-carboxylic acid substituted phthalocyanines: Anticancer activity on different cancer cell lines and molecular docking studies
(9 March 20)
In this study, firstly, (4R)-2-(3-hydroxyphenyl)thiazolidine-4-carboxylic acid (1)
and (4R)-2-(3-(3,4-dicyanophenoxy)phenyl)thiazolidine-4-carboxylic acid (2)
were prepared. Then, the novel type metallophthalocyanines ...
Experimental and theoretical investigation on the inhibition performance of disulfide derivatives on cobalt corrosion in alkaline medium
(2021)
Cobalt, as the barrier layer material for 14 nm copper interconnection, has been widely applied owing to its superior characteristics of low resistivity, excellent adhesion performance and blocking properties for copper. ...
Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials
(09 October)
b-Amino alcohols (2–4) used in this study were re-synthesized in accordance with our previous study. All
compounds were characterized by the combination of NMR, UV–Vis, IR experimental and theoretical
spectral data. Then, ...
Quantum chemical studies and electrochemical investigations of pyrogallol red modified carbon paste electrode fabrication for sensor application
(2021)
In order to develop a sensing platform, it is very important to understand the sensing mechanism of the modified electrode by locating the redox reactive sites of the modifier, for this better understanding we used the ...
Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach
(2021)
Two coumarin derivatives, namely, 3-(3-benzyl-4-hydroxy-2-thioxo-3,4-dihydro-2H-1,3-thiazin-6-yl)-8-methoxy-2H-chromen-2-one (BTMC) and 3-(3-benzyl-4-hydroxy-2 thioxo-3,4-dihydro-2H-1,3-thiazin-6-yl)-2H-chromen-2-one (BTC) ...