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排序方式: 共有2161条查询结果,搜索用时 15 毫秒
1.
ZHAO Shan-Rong CHEN Kai-Xian JIANG Hua-Liang WANG Qin-Mi JI Ru-YunShanghai Institute of Materia Medica Chinese Academy of Sciences Shanghai China 《中国化学》1997,15(1):84-89
We have used quantum mechanical method to study the transition states(TSs) of uridine phosphorolysis reaction. Comparing the four different reaction pathways and the five transition states obtained, we conclude that enzymatic uridine phosphorolysis takes place mainly according to acid-catalyzed SN2 mechanism. The proposed reaction pathway is consistent with many experimental results. 相似文献
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Mehdi Dehghan 《Numerical Methods for Partial Differential Equations》2002,18(2):193-202
Developement of numerical methods for obtaining approximate solutions to the three dimensional diffusion equation with an integral condition will be carried out. The numerical techniques discussed are based on the fully explicit (1,7) finite difference technique and the fully implicit (7,1) finite difference method and the (7,7) Crank‐Nicolson type finite difference formula. The new developed methods are tested on a problem. Truncation error analysis and numerical examples are used to illustrate the accuracy of the new algorithms. The results of numerical testing show that the numerical methods based on the finite difference techniques discussed in the present article produce good results. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 193–202, 2002; DOI 10.1002/num.1040 相似文献
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The turbulent flow in a compound meandering channel with a rectangular cross section is one of the most complicated turbulent flows, because the flow behaviour is influenced by several kinds of forces, including centrifugal forces, pressure‐driven forces and shear stresses generated by momentum transfer between the main channel and the flood plain. Numerical analysis has been performed for the fully developed turbulent flow in a compound meandering open‐channel flow using an algebraic Reynolds stress model. The boundary‐fitted coordinate system is introduced as a method for coordinate transformation in order to set the boundary conditions along the complicated shape of the meandering open channel. The turbulence model consists of transport equations for turbulent energy and dissipation, in conjunction with an algebraic stress model based on the Reynolds stress transport equations. With reference to the pressure–strain term, we have made use of a modified pressure–strain term. The boundary condition of the fluctuating vertical velocity is set to zero not only for the free surface, but also for computational grid points next to the free surface, because experimental results have shown that the fluctuating vertical velocity approaches zero near the free surface. In order to examine the validity of the present numerical method and the turbulent model, the calculated results are compared with experimental data measured by laser Doppler anemometer. In addition, the compound meandering open channel is clarified somewhat based on the calculated results. As a result of the analysis, the present algebraic Reynolds stress model is shown to be able to reasonably predict the turbulent flow in a compound meandering open channel. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
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Zi‐Niu Wu 《国际流体数值方法杂志》2005,48(5):541-564
The widely used locally adaptive Cartesian grid methods involve a series of abruptly refined interfaces. In this paper we consider the influence of the refined interfaces on the steady state errors for second‐order three‐point difference approximations of flow equations. Since the various characteristic components of the Euler equations should behave similarly on such grids with regard to refinement‐induced errors, it is sufficient enough to conduct the analysis on a scalar model problem. The error we consider is a global error, different to local truncation error, and reflects the interaction between multiple interfaces. The steady state error will be compared to the errors on smooth refinement grids and on uniform grids. The conclusion seems to support the numerical findings of Yamaleev and Carpenter (J. Comput. Phys. 2002; 181: 280–316) that refinement does not necessarily reduce the numerical error. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
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构造了第孙中禹种强度不等的非对称三态叠加多模叠加态光场|ψ1(ABC)〉q.利用多模压缩态理论研究了态|ψ1(ABC)〉q第一正交分量高次和压缩.结果发现:①当构成态|ψ1(ABC)〉q的三个多模相干态光场的强度不相等时,在一定条件下,态|ψ1(ABC)〉q的第一正交分量可出现任意幂次的高次和压缩.②当上述的三个多模相干态光场强度相等时,态|ψ1(ABC)〉q的第一正交分量的高次和压缩现象消失.在这种情况下,态|ψ1(ABC)〉q的第一正交分量恒处于NH最小测不准态. 相似文献
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E. Kajari R. Walser W. P. Schleich A. Delgado 《General Relativity and Gravitation》2004,36(10):2289-2316
We present exact expressions for the Sagnac effect of Gödel's Universe. For this purpose we first derive a formula for the Sagnac time delay along a circular path in the presence of an arbitrary stationary metric in cylindrical coordinates. We then apply this result to Gödel's metric for two different experimental situations: First, the light source and the detector are at rest relative to the matter generating the gravitational field. In this case we find an expression that is formally equivalent to the familiar nonrelativistic Sagnac time delay. Second, the light source and the detector are rotating relative to the matter. Here we show that for a special rotation rate of the detector the Sagnac time delay vanishes. Finally we propose a formulation of the Sagnac time delay in terms of invariant physical quantities. We show that this result is very close to the analogous formula of the Sagnac time delay of a rotating coordinate system in Minkowski spacetime. 相似文献