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81.
For the three-dimensional incompressible Navier–Stokes equations, we present a formulation featuring velocity, vorticity and helical density as independent variables. We find the helical density can be observed as a Lagrange multiplier corresponding to the divergence-free constraint on the vorticity variable, similar to the pressure in the case of the incompressibility condition for velocity. As one possible practical application of this new formulation, we consider a time-splitting numerical scheme based on an alternating procedure between vorticity–helical density and velocity–Bernoulli pressure systems of equations. Results of numerical experiments include a comparison with some well-known schemes based on pressure–velocity formulation and illustrate the competitiveness on the new scheme as well as the soundness of the new formulation. 相似文献
82.
Yury Yu. Rusakov Leonid B. Krivdin Maxim V. Penzik Vladimir A. Potapov Svetlana V. Amosova 《Magnetic resonance in chemistry : MRC》2012,50(10):653-658
Stereochemical structure of nine Z‐2‐(vinylsulfanyl)ethenylselanyl organyl sulfides has been investigated by means of experimental measurements and second‐order polarization propagator approach calculations of their 1H–1H, 13C–1H, and 77Se–1H spin–spin coupling constants together with a theoretical conformational analysis performed at the MP2/6‐311G** level. All nine compounds were shown to adopt the preferable skewed s‐cis conformation of their terminal vinylsulfanyl group, whereas the favorable rotational conformations with respect to the internal rotations around the C–S and C–Se bonds of the internal ethenyl group are both skewed s‐trans. Stereochemical trends of 77Se–1H spin–spin coupling constants originating in the geometry of their coupling pathways and the selenium lone pair effect were rationalized in terms of the natural J‐coupling analysis within the framework of the natural bond orbital approach. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
83.
Ratnikov MO Lipilin DL Churakov AM Strelenko YA Tartakovsky VA 《Organic letters》2002,4(19):3227-3229
[reaction: see text] The reduction of benzo-1,2,3,4-tetrazine 1,3-dioxides (BTDOs) 1 with Na(2)S(2)O(4) or SnCl(2) is suggested to proceed via intermediate N-nitrosobenzotriazoles 3 to afford benzotriazoles 2. The (15)N-labeling experiments exhibit that the N-3 atom of the tetrazine ring is incorporated into the nitroso group of 3 that is ultimately released into solution. It is possible that the biological activity of BTDOs is due to their ability to release nitrosating species, i.e., N-nitrosotriazol 3 or HNO(2), in the course of reduction. 相似文献
84.
Scalora M Syrchin MS Akozbek N Poliakov EY D'Aguanno G Mattiucci N Bloemer MJ Zheltikov AM 《Physical review letters》2005,95(1):013902
A new generalized nonlinear Schr?dinger equation describing the propagation of ultrashort pulses in bulk media exhibiting frequency dependent dielectric susceptibility and magnetic permeability is derived and used to characterize wave propagation in a negative index material. The equation has new features that are distinct from ordinary materials (mu=1): the linear and nonlinear coefficients can be tailored through the linear properties of the medium to attain any combination of signs unachievable in ordinary matter, with significant potential to realize a wide class of solitary waves. 相似文献
85.
We construct supersymmetric Lorentz violating operators for matter and gauge fields. We show that in the supersymmetric standard model the lowest possible dimension for such operators is five, and therefore they are suppressed by at least one power of an ultraviolet energy scale, providing a possible explanation for the smallness of Lorentz violation and its stability against radiative corrections. Supersymmetric Lorentz noninvariant operators do not lead to modifications of dispersion relations at high energies thereby escaping constraints from astrophysical searches for Lorentz violation. 相似文献
86.
Brown AM Ovchinnikov MV Stern CL Mirkin CA 《Journal of the American Chemical Society》2004,126(44):14316-14317
A novel reaction involving the halide-induced rearrangement of ligands within supramolecular Rh(I) complexes containing hemilabile ligands is presented. Three analogous bis- and trishemilabile ligands have been synthesized to construct bi- and trimetallic Rh(I) macrocyclic complexes. An intentionally added halide source results in the formal rotation of only one hemilabile ligand along the axis that is perpendicular to the plane defined by the aryl backbone of the hemilabile ligands. X-ray structures, as determined by X-ray crystallography, of key intermediates and products are presented. 相似文献
87.
Li G Artamonov M Rabitz H Wang SW Georgopoulos PG Demiralp M 《Journal of computational chemistry》2003,24(5):647-656
High-dimensional model representation (HDMR) is a general set of quantitative model assessment and analysis tools for improving the efficiency of deducing high dimensional input-output system behavior. RS-HDMR is a particular form of HDMR based on random sampling (RS) of the input variables. The component functions in an HDMR expansion are optimal choices tailored to the n-variate function f(x) being represented over the desired domain of the n-dimensional vector x. The high-order terms (usually larger than second order, or equivalently beyond cooperativity between pairs of variables) in the expansion are often negligible. When it is necessary to go beyond the first and the second order RS-HDMR, this article introduces a modified low-order term product (lp)-RS-HDMR method to approximately represent the high-order RS-HDMR component functions as products of low-order functions. Using this method the high-order truncated RS-HDMR expansions may be constructed without directly computing the original high-order terms. The mathematical foundations of lp-RS-HDMR are presented along with an illustration of its utility in an atmospheric chemical kinetics model. 相似文献
88.
M. A. Vsemirnov E. A. Hirsch E. Ya. Dantsin S. V. Ivanov 《Journal of Mathematical Sciences》2003,118(2):4948-4962
We survey recent algorithms for the propositional satisfiability problem. In particular, we consider algorithms having the best current worst-case upper bounds on their complexity. We also discuss some related issues: a derandomization of the algorithm of Paturi, Pudlák, Saks, and Zane, the Valiant–Vazirani lemma, and random walk algorithms with the back button. Bibliography: 47 titles. 相似文献
89.
90.