热化学计算不考虑反应的速度（动力学）。
Thermochemical calculations do not take into account the speed of the reactions (kinetics).
今天化学的课主要内容是化学计算方面的讲解。
Today, inn n Wenney's chemistry class, we discussed the chemical calculations.
量子化学计算及其衍生物的环氧化结果支持这一结论。
The quantum calculations and the results of the epoxidation of the derivatives supported this mechanism.
高效可靠的化学计算平台是通过集群服务器来实现的。
The platform's high efficiency and reliability is gained by cluster server.
在量子化学计算基础上，进一步对其键级、键长等结构参数进行了分析。
On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed.
本文使用AM 1半经验量子化学计算研究了苯环在PEEK链内的运动。
In this paper AM1 semiempirical quantum chemical calculation was used to study the motion of phenyl rings in PEEK chains.
本文分析了化学气相沉积过程的特点，并对量子化学计算的主要方法进行介绍。
Analyzing the characteristics of CVD process, the main calculation in quantum chemistry methods was introduced.
本课程使用高斯的目的，是除了热化学计算，更好了解化学反应和过渡态理论。
The objective of using Gaussian in this course is to understand better chemical reactions and transition state theory, in addition to the computations of thermochemistry.
在有机污染物的结构活性关系研究中，量子化学计算是获得分子结构参数的重要途径。
Usually quantum chemical calculation is an important way to get structural parameters of specific molecules in study of the structure-activity relationship of organic pollutants.
这种类型的平行计算(在某种意义上)可以在生物化学计算设备的设计和应用产生一些重要的应用。
This type of parallel computing (in a sense) can have some serious application in the creation and use of biochemical computing devices.
应用复合对数浓度图直观地解决了一系列繁琐的化学计算，是处理酸碱平衡的良好方法。
A series of complex chemical calculations will be solved directly by using the compound logarithm concentration diagram. It is a better method to deal with acid-base equilibrium.
此外我们的研究还表明，NMR的量子化学计算为天然产物的结构鉴定提供了一种新的工具。
This work shows that the quantum chemistry study of NMR can serve as a promising tool in aiding structural assignment of natural products.
在化学计算中我们很少，用英里每小时，所以我们把它换算为42米每秒，对不起，它是94英里每小时。
We don't usually do our chemistry calculations in miles per hour, so let's switch that to 42 meters per second, so it's — sorry, it's 94 miles per hour.
伏安曲线和量子化学计算分别用来研究方铅矿表面的阳极氧化和氧化过程中电子转移的微观机制。
The surface oxidation of galena and the micro-process of electron transfer involved in the oxidation have been stu died through voltammetry and quantum chemical calculation.
基本的化学教育(首选来自技术第二学校)，必须能操作基本的化学计算，首选具有分析化学知识的。
Basic chemical education, (preferred from technical secondary school), must be able to exercise basic chemical calculations, knowledge about analytical chemistry is preferred.
通过量子化学计算、亲固能计算以及能带结构分析等方法探讨了焦性没食子酸对硫化矿物的抑制机理。
The mechanism of pyrogallic acid depressing sulphide minerals has been discussed by means of HMO calculation, interaction energy and energy band structure.
本文用MNDO方法在VAX8350计算机上对冬凌草甲素及其乙酰衍生物进行了量子化学计算研究。
Study on the quantum chemical calculations is performed by means of MNDO method on VAX8350 computer for rubescensine A and its acetylate derivative.
通过对各种矿物的性能进行大量的理论计算，发现量子化学计算的结果能很好的反映各类矿物的结构性能。
According to the quantum chemistry calculations of the mineral it is clear that the results of theory calculation are consistent with the characteristics of mineral's structure.
量子化学计算棉酚与胸腺嘧啶分子中的净电荷分布，发现沿两者结构式粗线上各原子的电荷恰好符号相反（图2）。
Quantum chemical calculations of gossypol and thymine reveal that the net electronic charge distributions along the boldfaced line of their structural formula (Fig. 2) are just opposite in sign.
利用化学反应关系图进行计算，是化学计算的基本方法之一。比较详细地介绍了设计化学反应关系图的方法和步骤。
One of chemistry calculation methods is how to calculate with chemical reaction diagram this article mainly introduces some methods and steps on designing chemical reaction diagram.
在平时的教学中，我们只要有意识地进行化学计算解题思维策略的训练，就可以显著地提高学生的化学计算解题能力。
This article insists that the students' ability in solving chemical calculation problems can be improved by the thinking strategy training.
量子化学计算的一大优势在于它可以先于实验来预测物质的性质或实验上至今无法测得的一些物理量及无法观测到的反应过程。
One of the Holy Grails of quantum mechanical calculation is to predict properties of matter prior to experiments, to examine the physical properties or processes that are inaccessible by experiments.
用水合硝酸盐作氧化剂、以尿素为燃料 ，根据推进化学计算原料的配比 ，进行了复相PSZ超细陶瓷粉的低温燃烧合成 。
Multi phase PSZ micro_powders were prepared by low temperature combustion synthesis (LCS) method, with which nitrates were used as oxidizers while urea as fuels.
本文通过对B—DNA分子中互补碱基对A—T、G—C水合作用的量子化学计算以及最优化处理求得了它们水合作用的最优配位模式。
The optimal co-ordination mode for the hydration of complementary bases G-C, A-T in B-DNA molecule has been derived by using quantum chemical calculations and empirical potential energy functions.
量子化学计算机模型已经建立，这是一种十分强大的技术手段，可让化学工程师制造出某种设备，以达到从原子水平上控制化学反应的目的。
Powerful tools such as quantum-chemical computational models allow chemical engineers to build structures that can control reactions at the atomic level.
当你分析这些光的时候，你可以计算出它们与地球的距离，并确定它们由什么构成，查明它们的化学成分。
When you analyze this light, you can figure out their distance from the Earth, and identify what they are made of, determine their chemical composition.
阿伦尼乌斯计算了二氧化碳在地球大气层内的蓄热能力，但是其他化学家对此有异议。
Arrhenius calculated the capability of carbon dioxide to trap heat in the Earth's atmosphere, but other chemists disagreed.
然后，他的模型计算出这些玩家将如何相互作用——像许多化学元素那样。
His model has then worked out how these players will interact with each other -like so many chemical elements.
如果我们知道，了关于所有参与，反应的化学物质的，我们就能够计算出化学平衡。
And if we know G for all the species G involved in a chemical reaction, we should be able to calculate the chemical equilibrium.
如果我们知道，了关于所有参与，反应的化学物质的，我们就能够计算出化学平衡。
And if we know G for all the species G involved in a chemical reaction, we should be able to calculate the chemical equilibrium.
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