分子密度随着高度的上升而指数衰减。
平缓衰减区中的平均电子密度约为中性分子密度的十万分之一，并且可以覆盖较大范围。
The average electron density in linear attenuation zone is about 10 ~ (-5) of neutral particle density, and can overcast wider area.
这个过程形成的炽热气泡结构恰好可以抵御周围分子云中密度更高物质的压力。
The process blasted out material to form the bubble structure of glowing gas against denser material in a surrounding molecular cloud.
在无序区域，水分子之间更为紧密，使他们的密度比以四面体结构排列的区域高。
Inthe disordered regions, water molecules are more closely packed, makingthem denser than regions where the molecules are arranged in atetrahedral structure.
这还取决于，比方说，液体或气体的密度，分子的大小，它们改变了模拟程序中的参数，它们在一个时间单元内运行的距离，或者之类的。
And, depending upon, say the density of the gas or the liquid, the size of the molecules, they change parameters in the simulation, how far it, say, goes in each unit time and things like that.
进而探讨了脂肪醇同分异构体的密度与其分子距边矢量的定量关系。
Then the quantitative relationship between density of the alcohols and their molecular distance edge vector(VMDE) is approached.
CASTEP是使用密度的一个软件包裹提供对各种各样的材料和分子的好原子水平的描述的功能的理论。
CASTEP is a software package which USES density functional theory to provide a good atomic-level description of all manner of materials and molecules.
在分子内某空间找到，一个电子的概率密度。
Probability density of finding an electron within that molecule in some given volume.
随着电子计算机技术的飞速发展，密度泛涵理论(DFT)方法在研究分子的结构与性能方面的应用日益广泛。
With the rapid development of computer technology, Density Functional Theory (DFT) is widely used to research the molecule's structure and properties day by day.
块状榴辉岩中石榴石的位错密度低，没有观察到水分子团，虽然在局部发现有位错网，但总体上仍呈刚性。
In the massive eclogites, the garnets with low dislocation density and with no visible clusters of water molecules are mainly rigid although a few dislocation nets have been observed.
临界点温度、压力和密度的计算值和分子模拟值也基本符合。
The calculated critical temperature, pressure and density are also in good agreement with data from molecular simulations.
统计获得了界面区的密度、压力张量及温度的分布，并且从分子层次观察分析了界面结构和动力学特性。
The density, the pressure tensor, and the temperature profiles are obtained. Meanwhile, the structure and the dynamic behavior of the interface are analyzed from the molecular level.
采用黏度法测定膦基聚马来酸的相对分子质量为852、相对密度为1。
The relative molecular weight is 852 by using viscometry, its relative density is 1.
电场强度的增强和适当增加水蒸气分子的密度有利于OH自由基的生成。
As a result, the number of OH radicals increases with the intensity of electric field and the density of water vapor molecules.
通过DSC密度法等测定改性聚酯的超分子结构，并测试了改性聚酯的吸湿率。
The super molecular structures are tested by DSC density method and also the moisture pickup are measured.
利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.
但是还没有关于液晶分子能级和电荷密度的计算方法。
But neither can give a method for calculating the molecular energy levels and charge density of liquid crystals.
曲线及等离子体区的温度分布和电子、离子、原子、分子等粒子的数密度分布。
And the distributions of temperature, number density of electrons, ions, atoms and molecules in air plasma and the pressure distribution about the whole arc field were obtained.
本文利用密度泛函方法计算了吡啶和水分子分别吸附于粗糙银电极表面的拉曼光谱强度。
We calculated Raman intensities of pyridine and water adsorbed on rough silver electrodes respectively by using density functional theory approach.
建立具有正常极低密度脂蛋白（VLDL）受体结合功能的小分子受体片段模型并借助此模型研究VLDL受体与配体结合的作用机制。
The purpose of the paper is to build a module of small molecular receptor fragments charactering normal VLDL-R binding function and study the mechanism of VLDL-R binding to ligand.
密立根布居分析、周期性结构中态密度与能带结构，以及分子轨道的关系在文中被广泛应用。
Mulliken population analysis, the relations among the DOS, the band structure and molecule orbital were widely used in the dissertation.
脂肪酸酯作为发动机燃料的可行性来自于其分子结构和较高的能量密度。
The suitability of fatty acid ester as diesel fuel results from their molecular structure and high energy content.
对气体分子动力学交通流模型的弛豫时间进行了改进，使之与密度及速度相关。
An improvement is made on relaxation time of gas-kinetic traffic model, and the density and velocity are taken into account.
采用密度泛函理论研究了氧负离子自由基与苯分子的反应。
The reaction mechanism between atomic oxygen radical anion and benzene has been investigated using the density functional theory (DFT).
利用密度泛函理论和分子动力学方法，对处于两平行硬墙之间的硬球流体的密度分布进行了计算。
The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.
得到了它的电子结构，包括分子丛轨道能量本征值谱、态密度、电荷转移等等结果。
It's electronic structure, including spectrum of the ground state valence levels, density of states, and the charge transfer between adsorbate and substrate, is obtained.
研究了齐聚物和稀释单体的分子结构、分子量大小、反应性官能团密度对固化物硬度、柔韧性的影响规律。
The effect of the molecule structure, molecule weight, functional group density of the prepolymers and diluent monomers on hardness, flexibility of cured products has been investigated.
该分子材料具有较强的非线性光学性质，其分子的电子结构和电偶极矩是在密度泛函理论水平上利用从头计算方法得到的。
This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.
该分子材料具有较强的非线性光学性质，其分子的电子结构和电偶极矩是在密度泛函理论水平上利用从头计算方法得到的。
This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.
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