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Using relativistic multi-configuration Dirac-Fock theory,we calculate the transition data of 3dj-nfj'(n=5,6,7) for the M-shell from an Ni-like Au ion to an As-like Au ion using the GRASP programme with the corepolarization,quantum electrodynamical effect and Breit correction.

根据扩展的相对论多组态Dirac-Fock理论计算得到的Au^47+~Au^53+离子的平均离子寿命、能级能量和能级简并度,计算了各离子的电离速率常数、复合速率常数和配分函数,并由此得到了离子间的电离-复合平衡常数。

Reactive dye not only can covalently bind with modified flax by nucleophilic reaction, but also can form electrovalent bond. Attracting among hydronium is of benefit to nucleophilic reaction.

改性亚麻与活性染料之间即可发生亲核取代反应形成共价键结合,又可形成离子间的库仑力,而且离子间的相互吸引更有利于染料上的活性基与纤维素发生亲核取代反应。

Binding states between modified flax fabrics and anion dyes have been investigated by infrared spectrometry, X-diffraction, peeling of color and experiments on water proofing of modified flax fabric with taking reactive red X-3B, direct Chinese red 6B and acid yellow G for examples. The results show that binding force between modified flax and acid dye is coulomb's force, and besides hydrogen bond and gravitation among molecule, electrovalent bond has been formed among direct dye and modified flax.

以直接枣红6B、活性红X—3B、酸性金黄G为例,采用X光衍射法、红外光谱法、剥色实验及织物表面防水实验,研究了改性亚麻织物与阴离子染料之间的结合状态,结果表明改性亚麻与酸性染料之间主要靠离子间的库仑力结合,与直接染料之间在形成氢键和范德华力的基础上,还形成了离子键结合。

The method is developed by using Hildebrand approximation and an ionic model based on Harrison's treatment of overlap repulsive potential which takes into account the interactions up to second neighbors.

这种新方法的理论基础是利用Hildebrand近似、并运用Harrison的处理方法来考虑排斥能,即考虑离子间的相互作用直到次临近离子。

The differences in the solubility of β-cyclodextrin in the ionic liquids have been discussed from the interionic interaction between cation and anion of the ionic liquids and the inclusion interaction of the cations of the ionic liquids into the cavity of β-cyclodextrin.

结果表明,β-CD与离子液体的阳离子形成了1:1的包合物,并根据离子液体阴阳离子间的相互作用和β-CD与离子液体阳离子的包合作用,讨论了β-CD在不同离子液体中溶解度差异的原因。

The silver ion polarizes the chloride ion leading to electron density between the two ions.

银离子极化氯离子导致了两离子间的电子密度。

The Mo center of [Mo8](superscript 4)-shows a slight distorted square antiprism coordination environment. The N atoms of cyano groups, acting as acceptors of hydrogen bonds, together with protonate N atoms from organocations and the lattice water, serving as donors of hydrogen bonds, form intricate hydrogen bond interactions, thus generating three-dimensional supramolecular network with the help of π-π interactions of some organocations.

Mo8(上标 4-)离子中,Mo中心处于扭曲的反四棱柱配位环境。8个未配位的氰基氮原子作为氢键的受体,有机阳离子上质子化的氮原子和结晶水作为氢键的给体,形成了丰富的氢键作用,这些氢键作用连同部分有机阳离子间的π-π堆积、阴阳离子间的静电力和Van Der Waals力构筑成三维超分子网络。

The contribution of electrostatic interaction to the transfer volumes is predominant. The reduction in the electrostriction with increasing the concentration of salts was confirmed by the decreased hydration number.

氨基酸两性离子端基和阴阳离子间的静电作用对迁移体积的贡献是主要的,静电作用削弱了两性离子带电中心对周围水分子的电致收缩效应,造成氨基酸的理论水化数随盐溶液浓度的增加而减小。

It was found that La〓 does not affect the binding affinity between calmodulin and Polistes Mastoparan, a known calmodulin binding peptide, neither the conformation of the ternary complex. Excessive amount of La〓 result in the decrease of the binding constant and the disrupted conformation. The binding affinity of La〓 to calmodulin increased in the ternary complex (La〓-CaM-Mas/Mas X), which suggested the coordination between the two global domains. The binding priority between the two global domains is also changed: La〓 more is likely to bind to the C-terminal of calmodulin than to N-terminal, thus facilitates the binding of Mas/Mas X to the C-terminal of calmodulin as the first step of the Mas/Mas X binding.

在以钙调蛋白结合肽—Polistes Mastoparan和Mastoparan X为对象的研究中,我们发现,除非过量,否则La〓的存在不影响钙调蛋白与Mas间的结合常数以及构象;过量的La〓(La〓/CaM摩尔比>4)将引起钙调蛋白结合功能的下降,同时明显改变金属-钙调蛋白-Mas三元复合物的构象;La〓对Ca〓CaM-Mas的N末端表现高度选择性,显示了在三元复合物中两种离子间的协同效应;在三元体系中,La〓与钙调蛋白的亲和力明显上升,而且亲和力上升的程度因钙调蛋白结合肽的不同而有明显差异,显示了作用的选择性;Mas和MasX的存在改变了La〓在钙调蛋白上的结合顺序,La〓很可能优先与C末端结合,从而使Mas/Mas X首先与C末端结合,该顺序与钙离子相同;La〓的参与使三元复合物在动力学上更加稳定。

The results of several alkali halides calculated by Lifshitz theory were compared with those of the Micro size theory.

利用Lifshitz理论和微观尺度理论对多种碱卤化物进行了计算和比较,计算结果表明,Lifshitz理论中离子化合物中的多体相互作用项已经被包含在了文中新提出的简单形式的势中,从而证实利用该方法处理&离子&间的势是足够精确的。

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The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应,而且减少跟风的可能性。

The new PS20 solar power tower collected sunlight through mirrors known as "heliostats" to produce steam that is converted into electricity by a turbine in Sanlucar la Mayor, Spain, Wednesday.

聚光:照片上是建在西班牙桑路卡拉马尤城的一座新型PS20塔式太阳能电站。被称为&日光反射装置&的镜子将太阳光反射到主塔,然后用聚集的热量产生蒸汽进而通过涡轮机转化为电力