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The methods for the graphic representation of molecular properties and the combination of molecular graphics with computational chemistry have been developed.

本文发展了分子特性的图形表示法，提出了将分子模型显示与计算化学相结合的方法。

These methods can be used to interpret the result of computational chemistry visually. Graphic representation can inspect the process of theoretical calculation.

这些方法可用来对理论计算的结果作出直观的解释，并可用图形的直观手段监控理论计算的过程。

The computational efficiency and accuracy of the present method have been compared with that of the Green's function method.

计算结果表明，采用该方法可以得到消声器传递损失的高次波效应。

Theoretical analysis and comparison between computational results and experiments show that crossflow diffusion caused by grid lines is the most important error and grid line justification is the effective way to decrease crossflow diffusion.

理论分析和数值与实验间的比较结果表明，由于网格线的不合理布置导致的伪扩散误差是切向燃烧流场模拟中的主要误差。

Resource scheduling is the most important problem in the computational grid system.

资源调度是计算网格资源管理系统的最主要内容之一。

In this study, they constructed a ground squirrel protein database using computational methods. They further analyzed the protein expression in hibernating ground squirrels using high-throughput label-free LC-MS/MS.

在这项研究中，该研究组通过计算手段构建了全新的地鼠蛋白库，并首次使用无标记的高通量蛋白质谱技术系统分析了北极地鼠在冬眠各个过程中蛋白质水平的变化。

Recently, bas ed on Spitz's work, Porsani(1999) presented a half-step prediction filtering te chnique which simplified the two original prolix complex linear equation systems for calculating coefficients of prediction filter as a more simplex one so as t o reduce computational cost greatly.

最近，在Spitz工作的基础上， Porsani(1999年)提出了一种半步长预测滤波技术，它可以将原来用于求解预测滤波器系数的两组复杂的复线性系统方程简化为一组更为简单的复线性系统方程，从而大大降低了运算工作量。

An equivalent linear computational model of seabed-structure coupling system is established based on the modified Hardin model.

基于改进的哈丁模型建立了结构海床耦合系统的等效线性化动力分析模型。

Compared with the global harmonic mapping method, this approach has the following advantages.(1) The efficiency of the algorithm is greatly improved. The computational cost involved no longer increases exponentially with the number of vertices of the meshes to be fused.(2) The algorithm is robust as the ambiguity in graph structure combination is alleviated.(3) The detail of the cut mesh is fully kept.(4) The topology restriction of the original algorithm is eliminated.

与原有的基于全局调和映射的融合方法相比，新方法的算法效率大幅度提升，求解时间不再随融合模型顶点数的增加而呈指数增长；减少了二维网格拓扑合并中奇异情况出现的概率，提高了算法的稳定性；被剪切网格的细节得到完整保留；消除了原算法对融合区域拓扑的限制。

It's the first time that from the angle of computational mathematics combined with the structure model of parallel machine, the parallel degree of the relevant algorithms in orthopaedics clinic engineering modeling system, such as piecewise cubic Lagrange interpolation formula, piecewise cubic Hermite's interpolation formula, cubic spline, Chebyshev multinomial fitting algorithms, least square method and contour curve multinomial algorithms, were discussed.

论文首次从计算数学的角度并结合并行机的结构模式出发，讨论了在骨科临床工程造型系统中可能涉及的如分段三次拉格郎日插值公式、分段三次埃尔米特插值公式、三次样条函数、切比雪夫多项式拟合算法，最小二乘法以及轮廓曲线多项式求值算法的并行度。

Bob Eckert has been chairman and chief executive of Mattel for eight years.

美泰董事长兼首席执行官鲍勃·埃克尔特在任已8年。

The outlook for honors and disgraces carries on and surpasses the traditional outlook for honors and disgraces theoretically, and carries on and develops the theory of construction of socialist mora...

社会主义荣辱观的提出在理论上是对传统荣辱观的一次继承和超越，是对社会主义道德建设理论的继承和发展，在实践上有利于形成良好的社会风尚。