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3.461  Articles
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The phase formation of the solid solution Ca5Mg4–xZnx(VO4)6 (0=x=4) was studied in situ using differential scanning calorimetry and high-temperature X-Ray powder diffraction (XRPD). XRPD analysis shows the appearance of unavoidable secondary pyrovanadate ... see more

In this work, we have performed the extraction of yohimbine hydrochloride (C21H27ClN2O3) (YHCl). The optimized geometry, total energy, potential energy surface and vibrational wavenumbers of YHCl have been determined by using ab initio Hartree–Fock (HF) a... see more

Most commercial gaseous and liquid fuels are mixtures of multiple chemical compounds. In recent years, these mixtures became even more complicated when the suppliers started to admix biofuels into the petrochemical basic fuels. As the properties of such m... see more

FITR spectra and normal mode analysis of compound 2-[3-(p-flourobenzoyl)propyl]-1,2,3,4,6,7,12,12, a-octahydropyrazino[2',1':6,1] pyrido [3,4-b] indole [centbutindole], which is a potent nuroleptic drug and belong to a series of 2-substituted pyrazino-pyr... see more

This work deals with the vibrational spectroscopy of Ethyl benzoate (C9H10O2). The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) using standard HF/6-31G(d,p) and B3LYP/6-31G(d,p... see more

In the present contribution, we have reviewed he spectroscopic techniques generally used to collect intermolecular interaction data on van der Waals molecules, with special emphasis on the experimental and theoretical background of the spectroscopy of CO-... see more

Background: Carious lesions are formed by a complex process of chemical interaction between dental enamel and its environment. They can cause cavities and pain, and are expensive to fix. It is hard to characterize in vivo as a result of environment f... see more

Because of their wide applications in human or animal medicine, the natural products have been the subject of investigation. Aristolochic acids (AAs) (Aristolochiaceae), however toxic, are reported for many medicinal uses. In this work, computational stud... see more

Fourier transform infrared spectroscopy was used as a tool for identifying spectral markersrepresenting differences between Escherichia coli and Borrelia Burgdorferi sensu stricto. In order toprescribe an effective treatment it is important to identify th... see more

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