The solvent effects are carried out by the self-consistent reaction field theory with the polarizable continuum model in this work.
本文用自洽反应场的连续极化模型来模拟计算溶剂效应。
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reaction field model are thoroughly reviewed.
对溶剂化效应的连续介质模型，包括经典静电场模型和自洽反应场模型作了较为详细的讨论。
The calculations of self-consistent reaction field (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.
溶剂自洽反应场方法的计算结果表明同类配合物的脑吸收值取决于绝对水化自由能；
The sludge bed in the bottom of the reactor was the main reaction field for VFA production, and the height of the reactor for stable VFA production increased with the increase of OLR.
反应器底部的污泥床层是VFA生成的主要反应区，随着olr的升高，达到稳定VFA浓度的反应器高度逐渐增加。
Some people have a reaction-- if you say you're taking a course in finance they think that maybe you're selling out or maybe you value money too much and that you should really be in some other field.
有些人的反应是...,如果你说你正在上一门金融课,别人会以为你在推销自己,或者你有些拜金,而你应该选择其他的专业领域
There's human action everywhere you look - on the field and in the stands. And good reaction photos are winners!
你目光所及的地方到处都有人的活动，球场里，看台上，只要拍摄出好的表情照片，你就是胜利者！
But, don't forget, all reaction shots are not on the field. Turn around and take pictures of the fans in the stands whose faces reflect the action on the field.
但是不要忘了，并非所有的面部特写都是在球场上，转过身来拍下看台上反映着场上局面的球迷表情。
Yesterday, Shoichi Nakagawa, Chairman of Policy Research Council of Japanese Liberal Democratic Party criticized China's action in its East China sea oil field. What's your reaction?
昨天，日本自民党政调会会长中川昭一批评中国在东海油气田方面的行动，你对此有何反应？
Esterification is a classical organic synthetic reaction, with the development of peptide synthesis, much research work has been done in this field.
酯化是一经典的有机合成反应，随着肽合成的进展，在此领域已做了大量的研究工作。
The team was booed off the field, but in fact I think the fans were too kind in their reaction.
球队在离开赛场后获得了嘘声，但是我认为球迷们对他们的反应还是太仁慈了。
Playing for fun and becoming a professional gamer are totally different scenarios in thee-sports field. E-sports competitions require quick reaction speeds and incredible multitasking skills.
在电子竞技领域，业余玩家和职业选手之间有着天壤之别。电子竞技比赛对选手的反应速度和多任务处理能力都有很高要求。
Field experiment was carried out in Guanzhong area, Shaaxi province using Capsicum as indicator, to study Capsicum to fertilizer effect reaction of n, p, K fertilizer.
在陕西省关中土娄土区布置线辣椒缺素大田试验，研究线辣椒对氮、磷、钾肥的肥效反应。
The radiation and coupling of linear antennas in a rectangular waveguide are discussed by means of dyadic Green's function, field transformation and reaction concept.
本文采用并矢格林函数，场量变换和反应概念讨论了矩形波导中线天线的辐射和互耦合，给出了场强和互阻抗的普遍公式。
The new concept of chemical reaction promoted by electrostatic field force as dynamic mechanical condition is put forward.
提出了静电场力可作为动力学条件促进化学反应的新概念。
In recent years, based on the biochemical reaction mechanism of DNA computing model by many different scientific disciplines within the field of scholarly concern.
近年来，基于生化反应机理的DNA计算模型受到科学领域内许多不同学科领域学者们的关注。
In the field of chemistry, the origin of universe, the structure of an atom, chemical affinity and catalytic reaction etc. are discussed and analysed by Yuanji theory.
用元极图理论剖析化学领域中有关宇宙起源、原子结构、化学亲和力及催化反应等理论问题。
Putting the reactants in uniform electric field, we reduced the laser power density threshold needed by said reaction by a factor of two.
把反应物置于均匀外电场中，可以使引发化学反应时所需的激光功率密度阀值降低一倍。
This article introduces the main existing methods and achievements in the field of the math models of reaction kinetics and reactor of the heterogeneous photocatalysis reaction system.
本文介绍了当前多相光催化反应体系中反应动力学模型以及反应器数模研究领域内的主要方法及成果。
Using physical and chemical methods to control and promote chemical reaction is becoming a heat point in scientific field recent years.
近年来，利用物理手段来控制和促进化学反应，是科技界十分关注的研究领域。
Symmetry breaking of temperature field in spatially distributed pure dissipative systems induced by chemical reaction diffusion heat conduction couplings is analyzed in this paper.
分析了由于化学反应-扩散-热传导耦合而导致的非等温非均匀体系中温度场对称破缺。
Determined the residue of fluroxypyr in paddy field water and soil by derivative reaction and GC.
通过衍生化反应和气相色谱检测来测定稻田水、土壤样品中氟草烟的残留。
Taking 9 reaction equations with 12 components as an example and utilizing the established calculation program, the free jetting flow field of the rocket is simulated.
以12组分9反应方程模型为例，利用编制的计算程序，对某火箭燃气自由射流流场进行了模拟。
Thrombin, a key enzyme in the "waterfall reaction" of blood clotting, is also known as the multifunction serine protease enzyme in other field.
凝血酶是参与凝血过程中“瀑布反应”的关键酶，也是一种多功能的丝氨酸蛋白酶。
Enzymatic reaction and mimetic enzyme are the most important issues in the pop field such as supramolecular chemistry and biomimetic chemistry.
酶催化反应和酶模拟的研究是“超分子化学”、“仿生化学”等热门课题的重要研究内容。
Over the years, the design methods of burner rely on traditional empirical model, which did not fully add the effect of reaction kinetics and fluid dynamics to the combustion field.
长期以来，燃烧炉多是依靠传统经验模型进行设计，未充分考虑反应动力学及流体动力学对炉内燃烧场的影响。
The mechanism of magnetic field effects on reaction rates and the development of the magnetic chemistry are also discussed.
同时初步探讨了磁场影响化学反应速率的机理，并展望了磁化学的发展前景。
I wonder if you have taken note of by the response by the international community and the reaction of experts in the field. Such a decision has hurt the US market.
不知道你是不是注意到了国际的反应和专家的反应，这种决策甚至影响到美国的市场。
The effect of literature field is the reaction and result that literature field acts on itself, the writer, the culture and readers.
文学场的功能效应是指文学场作用于自身和作家、读者与文化所引起的效果和反应。
The application prospect of non-aqueous enzymatic reaction in the field such as medicine, food processing, and polymer chemistry and so on is reviewed.
展望了非水介质中酶促反应在医药、食品、高分子化学等领域的应用前景。
The application prospect of non-aqueous enzymatic reaction in the field such as medicine, food processing, and polymer chemistry and so on is reviewed.
展望了非水介质中酶促反应在医药、食品、高分子化学等领域的应用前景。
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