壁面取漫反射气体分子模型。
Gas molecule diffuse reflection model is implemented on the wall.
表示等规结构的最好方法是用分子模型。
The best way to represent the isotactic structure is with molecular models.
这是国家健康研究所分子模型中心的网站。
提出了一套开发网上虚拟分子模型与虚拟化学实验的新方案。
A new scheme of developing virtual molecule mode and virtual chemical experiment based on web had been set up.
本文从微观的分子模型出发，得到了饱和强度的定量解析表达式。
Based on a microscopic molecular model, an analytical expression for the saturation intensity is obtained.
模拟程序是在球形分子模型的基础上运用Fortran语言编写的。
The simulation program is written with FORTRAN on the base of the spherical molecular model.
近年来，人们又提出了一些全新的流动致结晶理论，比如分子模型和唯象模型。
In recent years, some new model approaches have been adopted to explain the flow-induced crystallization, such as the molecular model and the phenomenological model.
他们的工作纯粹是理论上的，并且使用了一个水分子模型有缺陷的分子动力学力场。
The work here is purely theoretical and uses a molecular dynamics forcefield with an imperfect model of water behavior.
在高能标度下描述强子的是与探测强子结构的硬过程相联系的QCD部分子模型。
At high energy scale, the QCD parton model, which is relative to the hard process for testing the hadron structure, is used to describe the hadron.
本文从耗散结构理论出发，推导了营养动力学的捕食模型等效于一类扩展的二分子模型。
Based on the theory of the dissipative structure, this paper has demonstrated that the predation model of the nutrition kinetics equals the quasi-bimolecular model.
用实空间中的重整化群理论，对二维正方形格点上的高分子模型自踪迹规避链进行了求解。
In this article, the critical exponents of the polymer model SAT in two dimensional square lattice have been studied with the real space renormalization theory.
在分析国内外人眼角膜的数学模型基础上，分析研究几种常见的准分子模型，提出一种新型的切削模型。
Based on related research results, combine the results and analyse some familiar excimer model, putting forward a new-style cutting model.
首先导出聚集硬球分子模型状态方程，并应用该方程计算五种金属熔体饱和气的密度，取得满意的结果。
Then, the densities of saturated vapor of 5 melting metallic substances are calculated by using the above equation of state, giving quite satisfactory results.
在反复进行优化模拟后，对分子模型体系进行了静态力学性能的分析，得到了SU-8胶的力学弹性常数。
After repeated optimization simulation, a stable cell structure was obtained. The elastic constants of SU-8 photoresist were gained after analysis of the static elastic properties.
本文在前文的分子模型基础上，提出了似化学局部组成的基团模型，可用于极性分子混合物申组分活度系数的预测。
Based onthe molecular QCLC model, a group contribution quasi-chemical local composition model is proposed, in which polar molecule is divided into several non-polar functional groups.
首先将该算法应用于假想分子模型间的刚性对接，然后将算法应用于HIV- 1蛋白酶与苯甲醚配体的刚性对接。
The algorithm is applied to the docking of several simple model molecules and the docking between the benzamidine and HIV 1 protease.
用液体的准晶态的谐振子模型，导出描述液体分子运动的波动方程。
Using the harmonic oscillator model of quasicrystal of liquid, the wave equation describing the motion of liquid molecules has been derived.
分子模拟方法因为能够对所用的模型提供完全的控制，在结构表征方面可能提供必要的帮助。
In this regard, molecular simulations can be great helpful to the resolution procedure due to the complete control of model detail.
碳纳米管模型的建立是用分子模拟法研究碳纳米管结构、性能、应用的基础。
The modeling of carbon nanotubes is essential to the research of their structure, characteristics and application.
为了解决有机物分子模拟中的模型问题，提出一种有机材料单分子链模型的构建方法。
In order to get simulation models of polymer molecules in molecular simulations, a method to build molecular models of organic materials is proposed.
采用分子动力学方法和全原子模型研究尿素和水分子对模型蛋白s -肽链结构转化的影响。
The effect of urea and water molecular to the S-peptide conformational transition in the protein sample was studied with all atom model by molecular dynamics method.
在格子模型中，采用计算机模拟方法了二元链状分子系统在固体表面的吸附行为。
Based on lattice model, Monte Carlo simulations have been taken to explore the performances of two component chain molecules for competitive adsorption on solid surface.
主要探讨了计算模块的选取，参数的确定及计算模型的建立，为分子模拟手段在气体膜分离领域的应用提供基础。
The selection of calculation modules, the determination of calculation parameters, and the construction of calculation model were studied in this paper.
阐述了稀溶液及聚合物溶液中高分子链及其刷子模型在外力和流场作用下的结构形态及动力学特性。
The configuration of a single polymer chain and polymer brush in equilibrium with a solvent that is subject to a shear flow is presented.
系统基于多投影无缝拼接技术提供了具有高度临场感的虚拟环境，使学生沉浸在虚拟的分子、原子模型结构中学习生化分子的有关知识。
Our system is composed of multi-projection screens and offers a channel to reach-into the molecular space in an immersive and interactive environment.
系统基于多投影无缝拼接技术提供了具有高度临场感的虚拟环境，使学生沉浸在虚拟的分子、原子模型结构中学习生化分子的有关知识。
Our system is composed of multi-projection screens and offers a channel to reach-into the molecular space in an immersive and interactive environment.
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