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81.
The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolarizabilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpolarizability β0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the, β0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the β0 value. 相似文献
82.
Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester
A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity. 相似文献
83.
M. A. Diniz-Ehrhardt M. A. Gomes-Ruggiero J. M. Martínez S. A. Santos 《Journal of Optimization Theory and Applications》2004,123(3):497-517
The spectral projected gradient method SPG is an algorithm for large-scale bound-constrained optimization introduced recently by Birgin, Martínez, and Raydan. It is based on the Raydan unconstrained generalization of the Barzilai-Borwein method for quadratics. The SPG algorithm turned out to be surprisingly effective for solving many large-scale minimization problems with box constraints. Therefore, it is natural to test its perfomance for solving the sub-problems that appear in nonlinear programming methods based on augmented Lagrangians. In this work, augmented Lagrangian methods which use SPG as the underlying convex-constraint solver are introduced (ALSPG) and the methods are tested in two sets of problems. First, a meaningful subset of large-scale nonlinearly constrained problems of the CUTE collection is solved and compared with the perfomance of LANCELOT. Second, a family of location problems in the minimax formulation is solved against the package FFSQP. 相似文献
84.
85.
Francesc Carreras M. Dolors Llongueras Antonio Magaña 《Annals of Operations Research》2005,137(1):67-89
A partnership in a cooperative game is a coalition that possesses an internal structure and, simultaneously, behaves as an
individual member. Forming partnerships leads to a modification of the original game which differs from the quotient game
that arises when one or more coalitions are actually formed.
In this paper, the Shapley value is used to discuss the convenience to form either coalitions or partnerships. To this end,
the difference between the additive Shapley value of the partnership in the partnership game and the Shapley alliance value
of the coalition, and also between the corresponding value of the internal and external players, are analysed. Simple games
are especially considered.
Research partially supported by Grant BFM 2003-01314 of the Science and Technology Spanish Ministry and the European Regional
Development Fund. 相似文献
86.
In this paper, space adaptivity is introduced to control the error in the numerical solution of hyperbolic systems of conservation laws. The reference numerical scheme is a new version of the discontinuous Galerkin method, which uses an implicit diffusive term in the direction of the streamlines, for stability purposes. The decision whether to refine or to unrefine the grid in a certain location is taken according to the magnitude of wavelet coefficients, which are indicators of local smoothness of the numerical solution. Numerical solutions of the nonlinear Euler equations illustrate the efficiency of the method. 相似文献
87.
V. Petržílka 《Czechoslovak Journal of Physics》1997,47(2):183-196
Test particle motion and acceleration has been explored in strong radio frequency (RF) fields, for which quasilinear ponderomotive force approximation is not valid. By nonlinear acceleration in spatially varying wave amplitude of RF travelling wave, electrons may be accelerated to time averaged velocities significantly larger than the RF wave phase velocity, and than the boundary plasma thermal velocity, in RF fields of several Volts per centimeter at wave frequency of 7 MHz. It is also demonstrated that even weak spatial gradients, much weaker than those expected in experiments, of the RF wave field amplitude, have significant consequences for the particle motion. Estimates are presented of the total energy transferred from the near antenna RF field to the plasma due to the nonlinear electron acceleration effects. 相似文献
88.
Ricardo Mañé 《Bulletin of the Brazilian Mathematical Society》1997,28(2):141-153
The objective of this note is to present some results, to be proved in a forthcoming paper, about certain special solutions of the Euler-Lagrange equations on closed manifolds. Our main results extend to time dependent periodic Lagrangians with minor modifications.We have chosen the autonomous case because this formally simpler framework allows to reach more easily the core of our concepts and results. Moreover the autonomous case exhibits certain special features involving the energy as a first integral that deserve special attention. They are closely related to the link found by Carneiro [C] between the energy and Mather's action function [Ma].Reprinted by permission of Addison Wesley Longman Ltd. 相似文献
89.
We study condensation of ethanol-hexanol vapour by numerical solution of kinetic equations. The number of droplets formed
in unit volume is computed within self-consistent classical model. It is shown that formation of ethanol-rich droplets prevails
at the initial stage of nucleation process, but in the stationary state formation of droplets near the saddle point (on cluster
formation energy surface) plays the dominant role.
Presented at the 6th Joint Seminar “Development of Materials Science in Research and Education”, Karlštejn, Czech Republic,
17–19 September 1996.
This work was supported by Grant No. A1010615 of the Grant Agency of the Academy of Sciences of the Czech Republic. 相似文献
90.
P. González D. Fernández J. Pou E. García J. Serra B. León M. Pérez-Amor T. Szörényi 《Applied Physics A: Materials Science & Processing》1993,57(2):181-185
A study of the gas-phase parameters involved in ArF laser induced chemical vapour deposition of silicon-oxide thin films is presented. A complete set of experiments has been performed showing the influence of the concentration of the precursor gases, N2O and SiH4, and their influence on total and partial pressures on film growth and properties. In this paper we demonstrate the ability of this LCVD method to deposit silicon oxide films of different compositions and densities by appropriate control of gas composition and total pressure. Moreover, a material specific calibration plot comprising data obtained using different preparation techniques is presented, allowing determination of the stoichiometry of SiO
x
films by using FTIR spectroscopy independently of the deposition method. For the range of processing conditions examined, the experimental results suggest that chemical processes governing deposition take place mainly in the gas phase. 相似文献