Chemistry: Recent submissions
Now showing items 41-60 of 106
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Density Functional Study of Molecular Orbitals of Ferrocene and Cobaltocene Molecules
(2016-10)The electronic structure and geometry optimization of ferrocene and cobaltocene molecules are calculated using DFT/B3LYP with the basis set of 6-31G (d). The Eigen values, Eigen vector and population analysis of the molecules ... -
Natural Bond Orbital Analysis of [Fe(H2O)6]2+/3+ and [Zn(H2O)6 ]H2On2+; N=0-4
(2016-09)Nature of delocalization of the electrons from the ligands to metals in the first coordination sphere of the highspin complexes [Fe(H2O)6]2+/3+ and [Zn(H2O)6]2+ are computationally studied using density functional theory. ... -
Bubble Formation in Helicoidal DNA Molecules
(2016-11)Wave interaction is addressed the framework of the helicoidal Peyrard-Bishop model of DNA. The model is first reduced to a set of coupled nonlinear Schrodinger equations via the multiple scale expansion. Modulational ... -
Correlation Between Oxidant Concentration and Morphological Properties of Silicon Nanowires Obtained by Silver-Assist Electroless Etching
(2017-03)In this work, a correlation between oxidant concentration and the morphological changes of silicon nanowires formed by a two-step silver-assist electroless etching method is established. It reveals that a textured silicon ... -
Thermodynamics of CO2 Adsorption on Polyethyleneimine Mesoporous Silica and Activated Carbon
(2017-03)A thermodynamic study of the enthalpies of adsorption of CO2 was conducted on polyethyleneimine 10k/ mesoporous silica (PEI-10k/MPS) and activated carbon (AC). These materials were chosen because of their high CO2 sorption ... -
Variation of Isotope Coefficient with Number of CuO2 Layers in High TC Superconductors
(2017-02)In this paper, an effort has been made to study the isotope coefficient in high TC Superconductors by using the variation of isotopic coefficient with the number of CuO2 layers and the variation of isotope coefficients on ... -
Application of Conjugated Organic Polymers for Photovoltaic's: Review
(2018-01)Photovoltaic effect is the emergence of a voltage between electrodes attached to a solid or liquid system up on shining light on to this system. Conjugated polymer is a molecular entity whose structure is represented as a ... -
Thermodynamic and Kinetic Studies of Powerful Eco Friendly Green Inhibitors; Costus afer, Uvaria chamae and Xylopia aethiopia for the Control of Mild Steel Corrosion in HCl Solution.
(2018-01)The inhibitive action of the methanol extracts of three powerful eco-friendly green Inhibitors; Costus afer (COA), Uvaria chamae (UVC), and Xylopia aethiopica (XYA) leaves on the corrosion of mild steel in 2.5 M HCl solutions ... -
Magnetic and Photon Cascade Emission of Gd3+ of NaGd(PO3)4 Monocrystal Under Appropriate Synthesis Conditions
(2017-08)A signal crystal of NaGd(PO3)4 (NGP) was successfully grown with the solid-state reaction method under appropriate synthesis conditions. Structure refinements and the purity of the samples were determined by XRD patterns. ... -
Computational and Experimental Study of the Inhibition Effects of Purple Sweet Potato Leaves Extract on Mild Steel Corrosion in 1M H2SO4
(2017-08)The alkaloid and non-alkaloid fractions of purple sweet potato (Ipomoea batatas) written as AEIB and NEIB respectively were used as inhibitors in the corrosion reaction of mild steel in 1.0 M H2SO4 solutions. The corrosion ... -
(E)-2-Benzylidenecycloalkanones XII.* Kinetic Measurement of Bovine and Human Serum Albumine Interaction with Selected Chalcones and Their Cyclic Chalcone Analogues by UV Spectrophotometry
(Scientific Research, 2015-01)UV-VIS spectroscopic investigations of interaction of bovine and human serum albumin with selected chalcones (1) and their cyclic chalcone analogues: (E)-2-(4’-X-benzylidene-1-tetralones (3), benzosuberones (4) with ... -
Multi-Spectral and Fluorescence Imaging in Prevention of Overdose of Herbicides: The Case of Maize
(Scientific Research, 2017-04)Evaluation of the impact of herbicides on maize was done through multispectral and multi-modal imaging and multi-spectral fluorescence imaging combined with statistical methods. Spectra containing 13 wavelengths ranging from ... -
Development of a Qualitative near Infrared Screening Method for Quality Consistency Assessment of Virgin Sunflower Oil
(Scientific Research, 2017-07)Near infrared spectroscopy offers advantages in the analysis of vegetable oils such as rapidity, relative cost-effectiveness, and usually no need for sample preparation. Virgin Sunflower oils were used as reference ... -
Applications of Infrared Spectroscopy in Analysis of Organic Aerosols
(Scientific Research, 2018-01)This paper reviews the studies of using FTIR to investigate the components of aerosols produced in smog chamber experiments and collected in atmosphere. The fact that aerosols are mixture of small amount of countless ... -
Molecular Dynamics Simulations of Atomistic Detailed Hydration Structures of Poly(vinyl methyl ether)
(2015-11)Molecular dynamics simulations have been performed on the aqueous solutions of Poly(vinyl methyl ether) (PVME) at various concentrations. Both radial and spatial distribution functions are used to investigate the detailed ... -
Response of CR-39 Polymer Radon-Sensors via Monte-Carlo Modelling and Measurements
(2014-05)International studies of radon indoors and in workplaces have shown significant radiation dose burden of the general population due to inhalation of radon (222Rn) and its short-lived progeny (218Po,214Pb, 214Bi, 214Po). ... -
Anisotropy of Photocatalytic Properties in Nanostructured Photocatalysts
(Scientific Research, 2016-04)Energy band engineering and the nature of surface/interface of a semiconductor play a significant role in searching high efficiency photocatalysts. Actually, the active facets, morphology controlling, especially the ... -
The Impact of the Physiochemical Properties of Manufactured Nanoparticles on In vitro and In vivo Evaluation of Particle Toxicity
(2014-04)Recently, many in vitro studies evaluating the effects of nanoparticles on cellular physiology have been reported. In in vitro systems, the nano-objects induce not only primary effects but also confounding (artificial) ... -
Kinetic Study of Decolorization of Methylene Blue with Sodium Sulphite in Aqueous Media: Influence of Transition Metal Ions
(2014-04)The kinetics of decolorization of methylene blue (MB+) with sodium sulphite in aqueous media was investigated over the temperature range 20-40°C. The kinetic studies were carried out as a function of different variables ...
