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在计算
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  in calculations
     Employing distributed Gaussian bases (DGB) to expand the vibrational eigenfunctions of the Morse oscillator in calculations for reaction probabilities, the calculation method becomes efficiently simplifies.
     在计算反应几率时采用分布高斯基(Distributed Gaussian Basis Sets;DGBS)展开方法,既保持了反应几率的解析表达式,又有效地简化了计算.
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     In calculations, at the basis of the stream function-axial velocity equation and the boundary equation above, using the finite difference method, the numerical calculations of the distribution of the secondary flow of Power-law fluid in eccentric annulus with the inner cylinder executing a planetary motion are made out, and the distribution of the secondary flow are plotted, and the relations between the conformations of secondary flow and the eccentric distance, the rotation and revolution velocities of the inner cylinder are analyzed.
     在计算上,利用上述流函数—轴向速度方程及边界条件方程,采用有限差分方法数值计算了幂律流体在内管做行星运动的环空中流动的二次流分布,绘制出二次流分布图,分析了二次流分布与偏心度、内管自转和公转速度之间的关系。
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     A theoretical study on the electuonic structures of (dmpe)_2HtCrBH_4(Ⅰ), (dmpe)_2HtCrlH_4(Ⅱ) and [(dmpe)_2HtCrAlH_4l_2(Ⅲ) dmpe=(CH_3)_2PCH_2CH_2P(CH_3)_2, inwhich we have used two H_3 instead of one dmpe in calculations has been carried out by cndol_2 method.The results showed: (1) in occupied Mo, 6b_1 (HOMO) and 7a_1 in(Ⅱ), Cr 3d orbital repulses with Hb ls orbital (Hb is bridge judrogen atom), bnt in (Ⅰ), this repulsion is weaken; Cr(u-Hb)_2B is more stable and in lower energy than Cr(u-Hb)_2Al. (2) In the electronic structure of(Ⅲ, the repulsion between Cr 3d and H ls is weaken largely; Al(u-Hb)_2Al is in low energy. Ht和Hb are active for theirr large contribution to higher occupied Mo and it may be the reason of easy cxchangc nctwccn Ht and Hb in solution. The differences in their electronic structurc are in agreement with experiment result.
     本文用CNDO/2方法研究了(dmpe)_2H_tCrBH_4(Ⅰ)、(dmpe)_2H_tCrAlH_4(Ⅱ)和[(dmpe)_2H_tCrAlH_4]_2(Ⅲ)(dmpe=(CH_3)_2PCH_2CH_2P(CH_3)_2,在计算时,我们用二个PH_3代替一个(dmpe)的电子结构。结果表明:(1)在(Ⅱ)的6b_1(HOMO),7a_1占据轨道中,Cr3d轨道与2H_b1S轨道(H_b为桥氢原子)对称性不匹配,相互排斥,而在(Ⅰ)中这种排斥有所减弱;Cr(u-H_b)_2Al骨架较Cr(u-H_b)_2B能量高而不稳定。(2)在(Ⅲ)的电子结构中Cr3d与2H_b1S之间排斥大为减弱,Cr(u-H_b)_2Al稳定性提高;新形成的AL(u-H)_2AL能量较低;在较高占据轨道中H_t和H_b成份多,活泼性强,这可能是H_t和H_b易交换的主要原因。三个化合物在电子结构上的差异较合理解释了实验现象。
短句来源
     In calculations it is more reliable to use practically unevenrailways.
     在计算中采用实际线路不平顺更可靠。
短句来源
     RDS was also used in calculations of assimilate partitioning and translocation coefficients.
     在计算同化物分配和转移系数时考虑了活体维持呼吸的消耗
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  in complexity
     One Way functions play an important role in complexity theory of computation and public key cryptography.
     One- Way函数在计算复杂性和密码技术中均有重要的应用 .
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     Finally,we analyze the efficiency of the proposed sc heme and show that the scheme is more efficient than group signature schemes suc h as ACJT scheme in complexity.
     最后,我们分析该方案的效率,与ACJT等几种方案相比在计算效率上有明显的提高.
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  when calculating
     3. The analysis on different empirical formulations of in-tube condensation heat transfer coefficients indicate that R404A can be treated as pure refrigrant when calculating it's in-tube condensation heat transfer coefficients.
     3.对于近工沸工质R404A,通过对内螺纹管中凝结换热系数关联式计算所得的数据与实验数据比较,得出结论:在计算R404A在内螺纹管中的凝结换热系数时,R404A可以当做纯工质来处理。
短句来源
     Disadvan-tages of time consuming and inaccurate calculation results with MCNP4C when calculating the deep penetra-tion problems are avoided by step calculation.
     通过分步计算,克服了MCNP4C在计算粒子深穿透问题中的耗时、结果差的缺陷。
短句来源
     When calculating the ratio on brittle and tenacity terrane, first, the thickness range of rock should be confirmed;
     在计算岩层脆塑比时 ,首先要计算并确定岩层的厚度范围 ,其次是计算脆性岩层和塑性岩层的厚度 .
短句来源
     oct file, the errors brought out by the interpolation of station' s coordinates can be reduced when calculating the ocean tidal displacement corrections,so as to increase the precision of GPS data processing.
     oct文件中,就可以在计算海潮位移改正时减少测站坐标内插所带来的误差,提高GPS数据处理的精度。
短句来源
     the visual winding is adopted when calculating the parameters of q-axis.
     在计算q轴参数时,采用了虚拟绕组,减少了半周期边界节点,提高了计算精度。
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  “在计算”译为未确定词的双语例句
     Application of the Finite Element Method to Two-Dimensional Neutron Diffusion Equation in Reactor Physics
     有限元法在计算二维反应堆中子扩散方程中的应用
短句来源
     Comparison of the Calculations of Three-Convolution Circular Arc Corrugated Diaphragms by Toroidal Shell Theory and by Orthogonal Anisotropy Plate Theory
     环壳理论与直交异性板理论在计算三圆弧波纹膜片上的比较
短句来源
     ON MACCORMACK SCHEME'S FEATURE IN COMPUTATION OF UNSTEADY SHOCK WAVE PROBLEM
     MacCormack格式在计算非定常激波时的特点
短句来源
     Nonorthonormal Basis Space Theory and its Application in Computational Chemistry
     非正交基空间理论及其在计算化学中的应用
短句来源
     Application of Singular-Perturbation Method to Develop Missile Guidance Laws
     奇异扰动法在计算导弹导引规律中的应用
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  in calculations
The coefficients used in calculations were determined by us.
      
In calculations we used two models: continuous and discrete.
      
A software tool for application in calculations of the position and velocity vectors of spacecraft is presented.
      
In calculations of turbulent flows with combustion, it is often assumed that this distribution has a universal dependence on the mean concentration and the pulsations of the concentration, which are determined from the corresponding equations.
      
The effect is also obtained in calculations made within the framework of the Navier-Stokes equations.
      
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  in complexity
Attention is given to polarographs and peripheral devices differing in complexity and analytical potentialities.
      
These generators are similar to Geffe's generator in complexity and random properties.
      
For the consideration of practical application, it is further simplified in complexity.
      
Compared with the original ML algorithm, the simplified ML algorithm can provide significant reduction in complexity with small degradation in performance.
      
In this paper, we apply the sampling method (Monte Carlo) to factor graphs, and then the integrals in the sum-product algorithm can be approximated by sums, which results in complexity reduction.
      
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  when calculating
When calculating the dispersion attraction between nanoparticles in dispersions, we use Mitchell and Ninham equations for the case of small (compared to particle radii) interlayer thickness.
      
When calculating coordinates and velocities on the integration step (at given instants of time), the approximate Everhart formula was employed.
      
It is shown that, when calculating the transformation kinetics for the model under consideration, in the general case (at s ≠ 1/2), the effects of shielding in the particle growth must be taken into account.
      
These values are taken into account when calculating kinetic parameters of the NaVO3 electroreduction.
      
It is emphasized that one should take into account the effect of thermoelastic stress when calculating this energy.
      
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Measurement of the intensity of total scattering of x-rays by a number of polyatomic gases was made for scattering angles between 15° and 130 ° using an ionization method of recording the scattered intensity. Balanced filters of ZrO2, and SrO were used to separate the MoKa rays and Soller slits were placed in front of the ionization chamber to obtain a definite scattering angle. The gases studied are CL2, CO2, N2O, H2S, CC14 and CHCl3. In each case the absolute values of the scattered intensity were determined...

Measurement of the intensity of total scattering of x-rays by a number of polyatomic gases was made for scattering angles between 15° and 130 ° using an ionization method of recording the scattered intensity. Balanced filters of ZrO2, and SrO were used to separate the MoKa rays and Soller slits were placed in front of the ionization chamber to obtain a definite scattering angle. The gases studied are CL2, CO2, N2O, H2S, CC14 and CHCl3. In each case the absolute values of the scattered intensity were determined by comparison with the scattering from oxygen, the results of Wollan for the latter gas being taken as correct. The experimental results are actually compared with Woo's theory of the scattering of x-rays by polyatomic gases and the agreement seems to be satisfactory.

吴有训氏最近对于多原子气体散射线之理论,曾作详尽的探讨。吴氏得到一个公式,表示由多原子气体所散射之强度,其中一部为相干的散射,另一部为不相干的散射。 以前关于多原子气体散射X-线之实验,为数甚少,且为定性的结果。最近美人Wollan,对于由O_2及N_2(双原子气体)所散射钼的K_3α线之强度,曾作绝对的度量。Wollan的结果,与吴有训氏的理论,甚属相符。本篇目的,在测定由 Cl_2,CO_2,N_2O,H_2S,CCl_4及 CHCl六种气体所散射X-线之强度,每一实验,均与由0_2者互相比较,根据Wollan的结果,每种气体所散射之绝对强度,皆一一量得。所用之入射X-线为钼之Kα线,系藉Ross的平衡过滤法分出。强度之测量,系用一游离方法。散射角度的范围,自15度至130度。每种气体的实验结果,均与吴氏的理论,互相比较,证明理论与实验,甚属相符。在计算时,原子的“构造因数”,系由Hartree的方法算得,一分子中两原子的相隔距离,则由带光谱的结果推得。

A new approximation method is proposed in this article for the discussion of molecular structures,and this new method includes the two well-known theories,molecular orbital theory and electron-pair bond theory as two special cases.Let a molecule have n bonds and let the ith bond be described by the anti-symmetrical two-electron bond function ψ_i(v_(2i-1),v_(2i)).(If there exist one- electron,three-electron or many-electron bonds,they can be similarly described by the corresponding one-electron,three-electron...

A new approximation method is proposed in this article for the discussion of molecular structures,and this new method includes the two well-known theories,molecular orbital theory and electron-pair bond theory as two special cases.Let a molecule have n bonds and let the ith bond be described by the anti-symmetrical two-electron bond function ψ_i(v_(2i-1),v_(2i)).(If there exist one- electron,three-electron or many-electron bonds,they can be similarly described by the corresponding one-electron,three-electron or many-electron bond func- tions.) Then the stationary state of the molecule is represented by the follow- ing wave function Ψ, where the summation is over all permutations of 1,2,……,2n except those within the interior of the functions,since each ψ_i is already anti-symmetrical.Obviously (2~n/((2n)/!))~(1/2) is the normalization factor. By quantum mechanics the energy of the molecule equals (1) here H_i,T_(ij) and S_(11)' are respectively the following three kinds of operators, (2) (3) (4) The third term of equation (1) is the exchange integral of electrons 1 and 1', while (1,2') is that of electrons 1 and 2'.According to the definition of bond functions,ψ_i may be written as (5) Substituting equation (5) into equation (1) and carrying out the integration over spin coordinates,we obtain (6) It can be easily seen from equation (6) that the combining energy of a mole- cule consists of two parts,one being the binding energy of the bonds represent- ed by the first term of equation (6),and the other being the interaction energy of the bonds denoted by the second term of that equation. If we choose certain functions φ_i~('s) involving several parameters and substi- tute them into equation (6),we may determine the values of those parameters by means of the variation principle. For the discussion of bond interaction energies,we develop a new method for the evaluation of certain types of three-center and four-center integrals.The interaction energy of a unit positive charge and an electron cloud of cylindrical- symmetry distribution may be written as (7) where (8) and R_0~2=a~2+b~2+c~2 The interaction energy of two electron clouds both of cylindrical-symmetry distributions with respect to their own respective axes is evaluated to be (9) (10) where is to sum over j from zero to the lesser value of n-2i and m, is to sum over i from zero to the integral one of n/2 and (n-1)/2,and is to sum over all cases satisfying the relation =m-j,while b_(n,n-2i) represents the coefficient of x~(n-2i) in the n th Legendre polynomial.

本文在分子结构理论方面,作了下列两点贡献:首先建议了用双电子或多电子键函数作为近似基础,来计算分子的近似能量和近似电子云分布。这样计算得来的结果,一定会比用分子轨道理论或电子配对理论好,因为它更真实的反映了分子的化学性质,同时它也包括了后两者,而以它们为特例。我们得到了分子结合能的表示式,用表示式证明了分子结合能由两部分组成:一部分是键的结合能,另一部分是键与键间的作用能。其次是建议了一种新方法,把在计算化学键相互间的作用能中遇到的一些三中心和四中心积分,还原为容易计算的二中心积分。这方法比以往所用的好,因为它计算比较简单,同时限制性也小。

In this paper is presented a method of finding the. reactive moments distributed along the clamped edges of a rectangular plate by means of double sine series. Plate with two opposite edges clamped and the other two opposite edges simply supported, and plate with all four edges fixed are used as illustrative examples; the load being uniformly disdributed. The results we obtained are certainly exactly the same that we had obtained by using the method of superposition. However, the method by the double series...

In this paper is presented a method of finding the. reactive moments distributed along the clamped edges of a rectangular plate by means of double sine series. Plate with two opposite edges clamped and the other two opposite edges simply supported, and plate with all four edges fixed are used as illustrative examples; the load being uniformly disdributed. The results we obtained are certainly exactly the same that we had obtained by using the method of superposition. However, the method by the double series has its advantages, when the loads acting on the plate are discontinous. Besides our method can be easily extended for solving the reactive moments of clamped edges of plates on the elastic foundation and under the combined action of lateral load and uniform compression or tension.

本文提供以双重三角级数解作用于矩形板的固定边的弯矩,以代替通常所用的叠加法。这样,一方面可以不必去解板的弯曲面的偏微分方程;另一方面,当作用于板的荷重并不连续而应用叠加法成为很困难时(因计算一四边简支的板在不连续的荷重作用下的弯曲面实非易事),这双重三角级数的解法仍不失为一有效的途径。 对于在计算上更为困难的一类问题,例如在弹性基础上的矩形板,及垂直有重与作用于板的中间面的拉力或压力共同作用的板,我们仍可用双重三角级数以计算作用于固定边的弯矩。 并且,由于能计算级数的极限和的值,所以上述这方法在运算上很为简单。

 
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