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841.
We have applied Engel-Vosko exchange energy within density functional theory, to calculate the electronic structure and the optical properties of BaX (X = Te, Se, and S) compounds via full potential linearized augmented plane wave method. We have found that this improves the band gap results comparing to our previous work in which we had made use of Perdew et al. exchange energy functional. We have also calculated the dielectric constant of these compounds, using both Perdew et al. and Engel-Vosko schemes. It is shown that Engel-Vosko exchange energy functional leads to a better result. We have also reported the effect of spin-orbit coupling on the results. 相似文献
842.
Bajdik J. Pintye-Hódi K. Novák Cs. Kelemen A. Regdon G. Erős I. 《Journal of Thermal Analysis and Calorimetry》2002,68(2):613-627
The extents of the protective effects of coating films on the surface of crystals were determined. Three different samples
were made with different quantities of coating fluid (Sepifilm LP 010 in 10% aqueous solution). Since the atomizing rate was
constant, the coating time increased in parallel with the volume of coating fluid applied. The direct measurement of film
thickness and smoothness is very difficult, and therefore indirect methods were used. Dimenhydrinate was chosen as model drug;
this is a heat-sensitive antihistamine with a low melting point. This temperature can be reached during the tableting process.
The behaviour of samples on exposure to heat was examined by differential scanning calorimetry. The water uptakes of the samples
were determined with an Enslin apparatus. Plasticity was studied with an instrumented tablet machine. These indirect methods
(thermal conductivity, water uptake and plasticity measurements) revealed connections between the results of the various experiments.
An overlong coating time decreased the protective effect of the coating film.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
843.
A. V. Balakirev V. V. Maizlish G. P. Shaposhnikov 《Russian Journal of General Chemistry》2002,72(2):307-310
A series of aryloxy-substituted phthalodinitriles were prepared by nucleophilic aromatic substitution of bromine in 4-bromo-5-nitrophthalodinitrile, and the corresponding phthalocyanines were synthesized. The physicochemical properties of phthalocyanines depend on the substituent in the aryl moiety. 相似文献
844.
Kurenkov V. F. Zaitseva O. A. Kirdyashova G. N. 《Russian Journal of Applied Chemistry》2002,75(4):641-644
The kinetics of radical copolymerization of acrylamide with lithium, sodium, and potassium 2-acrylamido-2-methylpropanesulfonates in concentrated aqueous solutions in the presence of potassium persulfate as initiating agent at pH 9 and 50°C was studied by dilatometry. 相似文献
845.
Bairamov R. K. Ermakov A. I. Vedernikova N. R. 《Russian Journal of Applied Chemistry》2002,75(3):408-410
The influence exerted by the nature and concentration of a number of organic and mineral acids on the composition of products formed in electric-spark dispersion of aluminum was studied. 相似文献
846.
Shunin D. G. Filippova A. G. Okhotina N. A. Liakumovich A. G. Samuilov Ya. D. 《Russian Journal of Applied Chemistry》2002,75(6):1020-1023
Procedures are discussed for production of rubber-bitumen compounds based on spent rubber items. A possibility of using these binders for paving is studied experimentally. 相似文献
847.
We consider some Sobolev-type spaces and obtain a necessary and sufficient condition for their embedding in a Lebesgue space. 相似文献
848.
This paper deals with mathematical human resource planning; more specifically, it suggests a new model for a manpower‐planning system. In general, we study a k‐classed hierarchical system where the workforce demand at each time period is satisfied through internal mobility and recruitment. The motivation for this work is based on various European Union incentives, which promote regional or local government assistance programs that could be exploited by firms not only for hiring and training newcomers, but also to improve the skills and knowledge of their existing personnel. In this respect, in our augmented mobility model we establish a new ‘training/standby’ class, which serves as a manpower inventory position for potential recruits. This class, which may very well be internal or external to the system, is incorporated into the framework of a non‐homogeneous Markov chain model. Furthermore, cost objectives are employed using the goal‐programming approach, under different operating assumptions, in order to minimize the operational cost in the presence of system's constraints and regulations. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
849.
Using Brown's construction (J. Algebra 15 (1970) 103) of an exact 6-term sequence for a fibration of groupoids we show how an exact 9-term sequence can be associated to a fibration of bigroupoids. Applications to topology and algebra are given. 相似文献
850.
In this paper we consider an initial boundary value problem for a reaction-diffusion equation under nonlinear and nonlocal Robin type boundary condition. Assuming the existence of an ordered pair of upper and lower solutions we establish a generalized quasilinearization method for the problem under consideration whose characteristic feature consists in the construction of monotone sequences converging to the unique solution within the interval of upper and lower solutions, and whose convergence rate is quadratic. Thus this method provides an efficient iteration technique that produces not only improved approximations due to the monotonicity of its iterates, but yields also a measure of the convergence rate. 相似文献