A study of water quality parameters of ground water of North, Central and South regions of Kalol Taluka in Gandhinagar district of Gujarat state, India have been carried out during May2006. The observed values of various physico-chemical parameters of water samples were compared with standard recommended by World Health Organization (WHO). The analysis of variance (ANOVA) and t-test have been a...

SiOC films prepared by the capacitively coupled plasma chemical vapor deposition were analyzed by Fourier Transform Infrared spectroscopy, nanoindentation, capacitance and Xray diffraction patterns to observe the crystallinity and chemical shift of SiOC. The capacitance decreased after annealing process, and the dielectric constant was also decreased by annealing due to the reduction of polariz...

This paper presents the results of studies on the influence of oxygen partial pressure (vacuum level in the chamber) on the properties of FeAl intermetallics. One of the problems in the application of classical methods of prepared Fe-Al intermetallic is the occurrence of oxides. Applying a vacuum during sintering should reduce this effect. In order to analyze the effect of oxygen partial pressu...

Using the first-principles calculations, the electronic structure, chemical bonding, mechanical, thermodynamics and superconductor properties of NbRuB are investigated. The optimized lattice parameters were in good agreement with the experimental data. The analysis of the density of states and chemical bonding implies that the metallic behavior of NbRuB originates from the Ru and Nb, and the bo...

In order to clarify the theoretical basis of the variability in the measurement of tablet hardness by compression pressure, NIR spectroscopic methods were used to predict tablet hardness of the formulations. Tablets (200 mg, 8 mm in diameter) consisting of berberine chloride, lactose, and potato starch were formed at various compression pressures (59, 78, 98, 127, 195 MPa). The hardness and the...

Wheat hardness by near infrared (NIR) spectroscopy: New insights by Marena Manley The determination of wheat hardness by the evaluation of whole wheat grain would be of considerable value to the UK Milling Industry. Until now, accurate whole wheat grain hardness predictions by NlR spectroscopy have only been reported for North American wheats. By the evaluation of selected samples of UK and Nor...

the n-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. the quantum theoretical calculations for two crystal structures of n-(2-benzoyl-phenyl) oxalyl (compounds i and ii) were performed by density functional theory (b3lyp method and 6-311+g* basis set). from the optimized structures, geometric paramet...

At the present theoretical study, DFT calculations were performed for elucidating thereaction, absorption energy and the quantum molecular descriptors including electronic chemical potential, chemical hardness, Homo, Lumo, band gap energy (Eg) and finding the most active nitrogen-doped graphene sheet (N-G) for absorption H2S, CH4, N2 and CO2 gases. Finally it found that nitrogen-doped gra...

Local hardness increasing on the surface of the power plant rotor may result in severe damages. One major solution for rapid repairing of the rotors is the adaptive tempering heat treatment. For this purpose, after identification of the damaged rotor, initial investigations and tests (such as visual inspection, chemical analysis, nondestructive hardness measurements and replica or on-site metal...

In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....