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Now showing items 11-20 of 28
Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes
(2021)
Microorganisms attach to surfaces and interfaces and form biofilms which create a sheltered area for host
cell response. Therefore, biofilms provide troubles in fields such as medicine, food, and pharmaceuticals.
Inhibition ...
Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex
(2021)
1,3-Bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex are synthesized and the structures are
elucidated using spectroscopies techniques. The molecular and crystal structures of the benzimidazolium ...
PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations
(2021)
In this work, three novel potent benzimidazolium-derived PEPPSI type palladium complexes, namely
dichloro[1-allyl-3-benzylbenzimidazole-2-ylidene]pyridine palladium(II) (1), dichloro[1-allyl-3-(1-
naphthylmethyl)benzim ...
Pd-PEPPSI: X-ray Structure, Spectroscopic Analyses, and Quantum Mechanical Studies
(2021)
Pyridine enhanced precatalyst preparation stabilization and initiation (PEPPSI) complexes contain
two halides, an unstable pyridine derivative and a bulky N-heterocyclic carbene (NHC) ligand. In this
study, a new ...
Theoretical computation of normalised radii, density and global hardness as a function of orbital exponent
(Springer International Publishing, 21 Februar)
The recent work has an aim to establish a pivotal role of orbital exponent in the
normalized atomic radii, atomic density and atomic hardness. These three periodic
descriptors help to understand the real scenario of an ...
Equilibrium, thermodynamic, and kinetic modeling studies for the adsorptive removal of oxyanions from water
(TAYLOR & FRANCIS INC, DEC 2021)
Water is being contaminated by different oxyanions which have many negative effects on the human body. This study deals with the adsorptive removal of Cr2O7-2, AsO4-3, and ClO4-1 oxyanions from water using diethanolamino ...
A gossypol derivative as an efficient corrosion inhibitor for St2 steel in 1 M HCl + 1 M KCl: An experimental and theoretical investigation
(Journal of Molecular Liquids, 26 January)
Currently, there are several types of corrosion inhibitors were studied. The new type of corrosion inhibitor based
on a gossypol derivative was first introduced. The anti-corrosion performance of 6-aminopenicillanic acid ...
Optical Properties of Cylindrical Quantum Dots with Hyperbolic-Type Axial Potential under Applied Electric Field
(2022)
In this paper, we have researched the electronic and optical properties of cylindrical
quantum dot structures by selecting four different hyperbolic-type potentials in the axial direction
under an axially-applied electric ...
Investigation of linear and nonlinear optical absorption coefficients and refractive index changes of a zigzag quantum well with structure parameters and applied external fields
(Elsevier, 2022)
In this study, we have investigated some linear and nonlinear optical properties of GaAs/GaAlAs zigzag quantum well structures under different electric and magnetic field intensities. We also examined the effect of adjustable ...
The nonlinear optical properties of GaAs/GaAlAs triple quantum well: Role of the electromagnetic fields and structural parameters
(ELSEVIER, 2022)
Being relevant to the field of device applications, multiple semiconductor quantum wells are systems that exhibit remarkable optical and electronic properties. These can be properly tuned by suitably modifying the composition, ...