片语

molecular photodissociation dynamics光解离动力学

molecular-dynamics md simulation分子动力学模拟

molecular collision dynamics[物]

molecular reactive dynamics分子反应动力学

molecular gas dynamics[物]

atomic and molecular reaction dynamics原子分子反应动力学

Molecular collisional dynamics速率常数

Molecular Reaction Dynamics[物化]

molecular r dynamics分子动力学

英汉例句

• The interatomic interactions of molecular dynamics model are described by embedded atom potential given by Doyama et al.

  在分子动力学模拟中，采用内嵌原子势描述纳米铜线的原子间相互作用。

• According to the time correlation function theory, the infrared spectrum of clusters can be calculated by using the molecular dynamics simulation.

  根据时间关联函数理论，可以结合分子动力学模拟而计算团簇的红外吸收谱。

• 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.

  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 isospin fractionation in intermediate energy heavy ion collisions is studied by using isospin dependence quantum molecular dynamics model.

  利用同位旋相关的量子分子动力学模型研究了中能重离子碰撞中同位旋分馏过程。

• This lysozyme modeling work has used an average of four racks of BlueGene/L processors for several months to generate an aggregate of more than 10 microseconds of molecular dynamics data.

  这项溶解酵素建模工作平均要使用4 组BlueGene/L处理器花费几个月的时间来生成超过10微秒的分子动态数据。

• A simulation method of molecular dynamics is introduced to simulate the interface crack initiation, from which the correlations between the interface stress and the interface fracture are acquired.

  采用分子动力学模拟方法，可以对结合材料的界面起裂过程进行模拟，从而获得结合材料界面应力和界面破坏之间的关系。

• This review will outline the recent progress in flexible docking and focus on the molecular dynamics simulation techniques.

  这篇综述概要介绍分子柔性对接技术的进展并重点介绍分子动力学模拟技术。

• In molecular dynamics simulation, a quite simplified model was used, but the simulation for the process of interface fracture also helps to acquire some rules about bi-material interface fracture.

  虽然在分子动力学模拟中采用了高度简化的界面模型，但对界面破坏过程的模拟，仍可以帮助人们获得结合材料界面破坏过程的规律性认识。

• The molecular dynamics simulations for argon at different temperatures show that the condensation coefficient increases with the decrease of the system temperature.

  对不同温度条件下的分子动力学模拟表明，氩的凝结系数随系统温度的升高而减小。

• The differences of diffusion properties between class I and class II hybrid membranes were also investigated by molecular dynamics simulation.

  本文还通过分子动力学模拟考察了第i类杂化膜与第ii类杂化膜扩散性质的差别。

• Evaporation and condensation in the liquid vapor coexistent system are studied with molecular dynamics simulations.

  采用分子动力学方法研究了气液共存体系的蒸发与凝结现象。

• Along with the development of computer science, molecular dynamics simulation provided a way to investigate the micro behavior of the molecules of real gases.

  随着计算机科学的发展，分子动力学模拟技术为研究实际气体的微观性质提供了有力的工具。

• With classical molecular dynamics it is, of course, possible to look at system sizes several orders of magnitude larger and to run dynamics up to milliseconds.

  当然，比系统尺寸大几个数量级的经典分子的动力学过程是可以看到且这个过程最长可达到毫秒级别。

• Using Langevin molecular dynamics simulation, we investigate numerically the depinning dynamics of fluid monolayer at a rough solid boundary.

  本文利用朗之万分子动力学，数值研究粗糙固体边界层表面单层流体的脱钉特性。

• Based on the results of phage display, the interactions between three glyco replica peptides and glucoamylase were investigated by molecular dynamics simulation.

  基于噬菌体展示的结果，对三种拟糖多肽与葡糖淀粉酶的相互作用进行了分子动力学模拟。

• In this paper we have calculated the vibrational relaxation rate by molecular dynamics simulation for homonuclear diatomic molecular crystal.

  本文用分子动力学模拟方法计算同核双原子分子晶体的振动弛豫速率。

• With the aid of molecular dynamics simulations, we obtained the proper structure of kinesin's nucleotide-free leading head.

  通过分子动力学模拟，得到了处于空态的马达头部的合理结构。

• Using molecular dynamics method combining with two-temperature model, the progress of femtosecond laser-metal interaction is described completely at both continuum and atomistic length scales.

  采用耦合一维双温模型的分子动力学方法，从连续及原子级的角度详尽描述了飞秒激光与金属的相互作用过程。

• By using the ab initio molecular dynamics method, we have studied the structural properties of liquid gallium at high temperature and high density.

  采用第一性原理分子动力学方法研究了高温下正常密度和高密度液体镓的结构和性质。

• The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation.

  本文应用分子动力学模拟方法，讨论了NVE系综中不同初始晶格类型对模拟系统平衡温度和截断半径对模拟系统平衡总能的影响。