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151.
    
A novel, efficient one‐pot approach for the synthesis of furopyrimidine and oxobenzofuran derivatives 4 by a multicomponent reaction of an isocyanide, an aldehyde, and a CH‐acid compound in CH2Cl2 is reported (Scheme 1 and Table). The reactions were completed after 20 h at room temperature. This method has the advantages of high yields, simple methodology, and easy workup.  相似文献   
152.
153.
Two-phase CFD calculations, using a Lagrangian model and commercial code Fluent 6.2.16, were employed to calculate the gas and droplet flows and film cooling effectiveness with and without mist on a flat plate. Two different three dimensional geometries are generated and the effects of the geometrical shape, size of droplets, mist concentration in the coolant flow and temperature of mainstream flow for different blowing ratios are studied. A cylindrical and laterally diffused hole with a streamwise angle of 30° and spanwise angle of 0° are used. The diameter of film cooling (d) hole, and the hole length to diameter ratio (L/d) for both of geometries are 10 mm and 4, respectively. Also the blowing ratio ranges from 1.0 to 2.0, and the mainstream Reynolds number based on the mainstream velocity and hole diameter (Re d) is 6,219. The results are shown for different droplets diameters (1–10 μm), concentrations (1–5%) and mainstream temperatures (350–500 K). The centreline effectiveness and distribution of effectiveness on the surface of cooling wall are presented.  相似文献   
154.
We prove that there exists an interval of time which is uniform in the vanishing viscosity limit and for which the Navier–Stokes equation with the Navier boundary condition has a strong solution. This solution is uniformly bounded in a conormal Sobolev space and has only one normal derivative bounded in L . This allows us to obtain the vanishing viscosity limit to the incompressible Euler system from a strong compactness argument.  相似文献   
155.
    
The effect of the counterpoise correction on the geometries, stabilization energies, and vibrational harmonic frequencies of some hydrogen- and halogen-bonded systems (B?=?CH3CN,?HCN,?NH3,?N2,?CO,?H2O,?H2S,?PH3;?HX?=?HF,?HCl,?HBr,?HCN,?HCF3; XY?=?Br2,?BrCl,?BrF,?Cl2,?ClF,?F2) has been analysed at the MP2 level of theory using the popular 6-311++G(d,p) basis set. The optimized B?···?H and B?···?X bond lengths increase with counterpoise (CP) correction. In some cases standard values and in other cases CP-corrected values are close to experimental data. The absolute values of complexation energies of CP-corrected structures are higher than standard by inclusion of BSSE correction. The effect of CP correction on intermolecular bond lengths and complexation energies of B?···?XY series are usually higher than B?···?HX. Also, this effect is higher for H2S and PH3 groups. The CP correction changes the vibrational harmonic frequencies by 0–100%. The changes are frequently lower than 20% for frequencies higher than 300?cm?1.  相似文献   
156.
    
Protonation increases the total binding energy of the 8-oxoguanine-cytosine (8OG:C) base pair by 60–70% at the B3LYP/6-311++G(d,?p) level of theory. It changes the individual H-bond energies, estimated from electron charge densities at bond critical points, by 1.16 to ?16.41?kcal?mol?1. The individual H-bond energies and the two bond X–Y spin–spin coupling constants (2hJX–Y) increase with protonation where 8OG behaves as an H-bond donor; the reverse is true for the H-bonds in which the 8OG unit acts as an H-bond acceptor. Similar to 2hJX–Y, the value of 1hJO–H (a one-bond H?···?Y spin–spin coupling constant) is distance dependent and in linear correlation with the O?···?H distance, but the 1hJN–H values are independent of the N–H distance and the PSO term is the predominant portion in it. The 1JX–H spin–spin coupling constant is dominated by the negative FC term for all hydrogen bonds, although the PSO term is the best to investigate the behaviour of 1JX–H across the X–H?·?Y H-bond.  相似文献   
157.
    
This paper proposes a tunable zeroth-order resonator on a composite right/left-handed transmission line consisting of a transversely magnetized ferrite substrate periodically loaded by microstrip inductors. Based on the propagation theory of edge guided modes, the analysis procedure of this structure is introduced. The numerical results demonstrate the tunability of the resonant frequency by changing the DC bias magnetic field applied to the ferrite. In contrast to previous work, the proposed structure is easy to design and fabricate and does not require a chip component.  相似文献   
158.
In this paper, synthesis of two derivatives of noscapine and their application as organocatalysts in the asymmetric addition of diethylzinc to aromatic aldehydes is reported. The first catalyst (2) was synthesized by the reduction of lactone ring of noscapine to form the corresponding diol, and the second one (3) was prepared by tert-butyl dimethyl silylation of the primary hydroxyl group of 2. Excellent yields and high ees up to 95% were obtained by using 3 as the catalyst. To the best of our knowledge, this is the first report on the application of lactone ring opened noscapinoid compounds as organocatalysts in asymmetric reactions.  相似文献   
159.
Research on Chemical Intermediates - A novel series of 1,3-disubstituted 4-oxo-1,4-dihydroquinolines as antimicrobial agents were designed and synthesized. Their structures have been confirmed...  相似文献   
160.
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