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171.
In this paper, we calculate the band gap and the band discontinuities of a GaN
y
AsBi
x
structure lattice matched to GaAs substrate using the conduction and the valence band anticrossing models at the same time.
The results obtained show a good agreement with experiment. The nitrogen and the bismuth concentrations leading to a wavelength
emission of 1.55 μm have been determined (x = 3.5%, y = 2%). This structure shows a good electron confinement resulting in a high characteristic temperature. 相似文献
172.
L. Ait Said K. Zahlane I. Ghalbane S. El Messoussi C. Cavaleiro 《Natural product research》2015,29(6):582-585
The aim of this study was to analyse the composition of the essential oil (EO) of Lavandula coronopifolia from Morocco and to evaluate its in vitro antibacterial activity against antibiotic-resistant bacteria isolated from clinical infections. The antimicrobial activity was assessed by a broth micro-well dilution method using multiresistant clinical isolates of 11 pathogenic bacteria: Klebsiella pneumoniae subsp. pneumoniae, Klebsiella ornithinolytica, Escherichia coli, Enterobacter cloacae, Enterobacter aerogenes, Providencia rettgeri, Citrobacter freundii, Hafnia alvei, Salmonella spp., Acinetobacter baumannii and methicillin-resistant Staphylococcus aureus. The main compounds of the oil were carvacrol (48.9%), E-caryophyllene (10.8%) and caryophyllene oxide (7.7%). The oil showed activity against all tested strains with minimal inhibitory concentration (MIC) values ranging between 1% and 4%. For most of the strains, the MIC value was equivalent to the minimal bactericidal concentration value, indicating a clear bactericidal effect of L. coronopifolia EO. 相似文献
173.
The activity of four bismuth(III) derivatives when employed as Friedel-Crafts catalysts for the acylation of aromatics was found to increase dramatically when dissolved in ionic liquids. Solutions of bismuth oxide or triflate in [emim][NTf(2)] and [bmim][NTf(2)] are the most efficient catalytic systems, with catalyst loading as low as 1% leading to clean, high-yielding acylation of a variety of benzene derivatives. These improved Friedel-Crafts catalytic systems can also be efficiently recycled as opposed to traditional systems. [reaction: see text] 相似文献
174.
Said M. Bayomi 《中国化学会会志》1992,39(1):101-104
A convenient route is reported for the synthesis of fused pyrrolo[2,3-d][1,3]oxazine and pyrrolo[2,3-d]-pyrimidine derivatives from 2-amino-1-benzyl-3-t-butoxycarbonyl]-4,5-dimethylpyrrole. 相似文献
175.
Elvira M. Bauer Marcello Colapietro Said A. Ibrahim Gustavo Portalone 《Journal of solid state chemistry》2006,179(2):389-397
Co[(CH3PO3)(H2O)] (1) and Co[(C2H5PO3)(H2O)] (2) were prepared by the hydrothermal method and isolated as blue-violet platelet crystals. They were characterized by X-ray diffraction, FT-IR, TGA-DSC techniques and their magnetic properties studied by a dc-SQUID magnetometer. Compound (1) shows an hybrid layered structure, made of alternating inorganic and organic layers along the a-direction of the unit cell. The inorganic layers contain Co(II) ions six-coordinated by five phosphonate oxygen atoms and one from the water molecule. These layers are separated by bi-layers of methyl groups and van der Waals contacts are established between them. In compound (2), the layered hybrid structure is rather similar to that described for compound (1), but the alternation of the inorganic and organic layers is along the b-direction of the unit cell. The magnetic behavior of (1) and (2) as function of temperature and magnetic field was studied. The compounds obey the Curie-Weiss law at temperatures above 100 K, the Curie C, and Weiss θ constants for the methyl derivative being and and for the ethyl derivative and , respectively. The observed magnetic moments for Co atom at room temperature (i.e. μeff=5.18 and 5.38 BM, respectively) are higher than those expected for a spin-only value for high spin Co(II) (S=3/2), revealing a substantial orbital contribution to the magnetic moment. The negative values of θ are an indication of the presence of antiferromagnetic exchange couplings between the near-neighbors Co(II) ions, within the layers. [Co(CnH2n+1PO3)(H2O)] (n=1,2) are 2D Ising antiferromagnets at low temperatures. 相似文献
176.
Dr. Abderrahmane Semmeq Dr. Michael Badawi Prof. Abdellatif Hasnaoui Prof. Said Ouaskit Dr. Antonio Monari 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(49):11340-11344
The effect of ionizing radiation on DNA constituents is a widely studied fundamental process using experimental and computational techniques. In particular, radiation effects on nucleobases are usually tackled by mass spectrometry in which the nucleobase is embedded in a water nanodroplet. Here, we present a multiscale theoretical study revealing the effects and the dynamics of water droplets towards neutral and ionized thymine. In particular, by using both hybrid quantum mechanics/molecular mechanics and full ab initio molecular dynamics, we reveal an unexpected proton transfer from thymine cation to a nearby water molecule. This leads to the formation of a neutral radical thymine and a Zundel structure, while the hydrated proton localizes at the interface between the deprotonated thymine and the water droplet. This observation opens entirely novel perspectives concerning the reactivity and further fragmentation of ionized nucleobases. 相似文献
177.
Band offset calculations for zinc-blende pseudomorphically strained Al1−xGaxN/Al1−yGayN and InxGa1−xN/InyGa1−yN interfaces have been performed on the basis of the model solid theory combined with ab initio calculations. From the results obtained, we have calculated, separately, the valence and conduction band discontinuities of InxGa1−xN/GaN and GaN/Al1−xGaxN as a function of the indium and gallium contents respectively. Using the latter results, we have extended our study to simulate band discontinuities for strained Ga1−xInxN/relaxed Al1−yGayN heterointerfaces. Information derived from this investigation will be useful for the design of lattice mismatched heterostructures in modeling optoelectronic devices emitting at ultraviolet to near infrared wavelengths. 相似文献
178.
The problem considered is the full-load pickup and delivery problem with time windows (PDPTW), and heterogeneous products and vehicles, where the assignment of pickup points to requests is not predetermined. The problem is first formulated as a 0-1 LP, then a hybrid algorithm is developed, which chooses dynamically between a Greedy heuristic and one based on Regret costs. A multi-level constructive heuristic that consists of three post-optimizers is presented. Two lower bounds are used to evaluate the performance of the proposed heuristics when tested on random instances and selected data from a construction company. 相似文献
179.
180.
I. Hashim M.S.M. Noorani M.R. Said Al-Hadidi 《Mathematical and Computer Modelling》2006,43(11-12):1404-1411
In this paper, a convergence proof of the Adomian decomposition method (ADM) applied to the generalized nonlinear Burgers–Huxley equation is presented. The decomposition scheme obtained from the ADM yields an analytical solution in the form of a rapidly convergent series. The direct symbolic–numeric scheme is shown to be efficient and accurate. 相似文献