نتایج جستجو برای: nbo charge
تعداد نتایج: 142895 فیلتر نتایج به سال:
Traumatic brain injury (TBI) is a multifaceted injury and a leading cause of death in children, young adults, and increasingly in Veterans. However, there are no neuroprotective agents clinically available to counteract damage or promote repair after brain trauma. This study investigated the neuroprotective effects of normobaric oxygen (NBO) after a controlled cortical impact in rats. The centr...
OBJECTIVE To conduct the cross-cultural adaptation for Brazilian Portuguese of the Newborn Behavioral Observations (NBO), a new resource for observing neonatal behavior and sharing information with parents. METHODS Methodological study of translation and cultural adaptation of the NBO system, which includes the Recording Form, with 18 items, the Recording Guidelines, with instructions to scor...
The molecular structure of 3-methyl 2-vinyl pyridinium phosphate (3M2VPP) has been optimized by using Density Functional Theory B3LYP hybrid functional with 6-311++G (d, p) basis set in order to find the whole characteristics complex. theoretical structural parameters such as bond length, angle, and dihedral angle are determined DFT methods well agreed single crystal X-ray diffraction parameter...
In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...
Synthesized niobium oxides (Nb(2)O(5) and NbO(2)) were applied for the first time as counter electrodes (CEs) in dye-sensitized solar cells (DSCs). The DSC using NbO(2) CE showed a higher power conversion efficiency of 7.88%, compared with that of the DSC using Pt CE (7.65%).
BACKGROUND AND PURPOSE Normobaric oxygenation (NBO) and ethanol both provide neuroprotection in stroke. We evaluated the enhanced neuroprotective effect of combining these 2 treatments in a rat stroke model. METHODS Sprague-Dawley rats were subjected to middle cerebral artery occlusion for 2 hours. Reperfusion was then established and followed by treatment with either (1) an intraperitoneal i...
Protective coatings applied to cathodes help overcome interface stability issues and extend the cycle life of Li-ion batteries. However, within 3D cathode composites it is difficult isolate effect coating because additives non-ideal interfaces. In this study we investigate niobium oxide (NbO x ) as in a thin-film model system, which provides simple access cathode-coating-electrolyte interface. ...
in this article, theoretical studies on the selective complexation of the halide ions (f¯, cl¯ and br¯) and ion pairs (na+f¯, na+cl¯ and na+br¯) with the cyclic nano-hexapeptide (cp) composed of l-proline have been performed in the gas phase. in order to calculate the dispersion interaction energies of the cp and ions, dft-d3 calculations at the m05-2x-d3/6-31g(d) level was employed. based on t...
A series of (CeO2)x–(Na2O)0.3–(SiO2)(0.7−x) glasses, where 0.025≤ x≤ 0.075, have been synthesized and investigated by mean of X-ray photoelectron spectroscopy (XPS). The Ce 3d spin-orbit doublet was curve fitted in order to quantify the proportions of each cerium oxidation state in these glasses. It was found that Ce ions are predominantly in the Ce(III) state in glasses with compositions x≤ 0....
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