we have performed density functional theory (dft) calculations to investigate the properties of defect in arepresentative armchair model of silicon nanotubes (sints). to this aim, the structures of pristine and defective(5,5) sints have been optimized and the properties such as bond lengths, total energies, binding energies,.formation energies, gap energies, and dipole moments have been evaluat...

In this manuscript, density functional theory was used to explore structural, vibrational and optical properties of the (Sc2O3)n (n=1-5) cluster systems using DFT/B3LYP/LanL2DZ level of computation. Different stable isomers were obtained and numerous chemical parameters such as HOMO-LUMO gap, ionization potential and electron affinity were calculated successfully. Stability of the clusters was ...

The aim of this study was to determine physicochemical, microbial properties and antioxidant activity of fermented camel milk (Chal) and introduce it as a functional food. The protein content of the samples was determined using Kjeldahl method and total dry matter using oven drying method. The amount of fat content with Gerber method and pH was measured using a pH meter. Antioxidant activity wa...

Submitted for the MAR06 Meeting of The American Physical Society Structure and energetics of step edges on anatase TiO2(101) XUEQING GONG, Princeton University, ANNABELLA SELLONI, Princeton University, MATTHIAS BATZILL, Tulane University, ULRIKE DIEBOLD, Tulane University, PRINCETON UNIVERSITY COLLABORATION, TULANE UNIVERSITY COLLABORATION — Defects, such as step edges, are of paramount importa...

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background & aim: considering the inevitable side effects of chemical drugs, nowadays, herbal medicine has gained a special importance. cinnamon of lauraceae family, is commonly used as a food spice and medicine. it is famous to be, antimicrobial, anti-oxidant, anti-diabetic, anti-viral, and antispastic. it also prevents abdominal bloating, increases sweating and uterus muscle constrictions...

We have performed density functional theory (DFT) calculations to investigate the properties of defect in arepresentative armchair model of silicon nanotubes (SiNTs). To this aim, the structures of pristine and defective(5,5) SiNTs have been optimized and the properties such as bond lengths, total energies, binding energies,.formation energies, gap energies, and dipole moments have been evaluat...