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Characteristics of ionic clusters M 〓/M 〓 M=alkali metal cations, alkaline-earth metal cations

将HC〓N的转动常数B〓的理论计算值与实际观测值进行比较，其相对标准误差仅0.6％。

The synthesis methods of energetic salts and energetic ionic liquids(cations including triazole, tetrazole, bridged azole, hexamethyenetetrammonia, etc;and anions including nitrate, perchlorate, azide, tetranitratealuminate, polycyan anion, N,N'-dinitrourea, etc.) are reviewed, and the effects of cations, anions and their substitution groups on melting point, enthalpy of formation, density of the materials are summarized.

本文综述了多种含能盐和含能离子液体（阳离子包括三唑、四唑、双环唑、六次甲基四胺等；阴离子包括硝酸根、高氯酸根、硝基唑、叠氮根、四硝基铝、多腈基化合物、二硝基尿素等）的合成；结合其表征结果分析了阳离子上的取代基以及阴阳离子对它们的性能如熔点、生成焓、密度等的影响。

The interactions among the three active sites---N3, 04 and 05 in the most stable conformer of glycine and the three mono-value cations--~ Li~ and Na~ are investigated at the R0B3P86/6-3 1 G* level. Their relative binding strength and the binding order are compared and analyzed when the same active site reacts with three different cations or the same cation reacts with three different active sites, respectively.

利用限制性的DFT方法和6-31G基组函数，考察了甘氨酸的最稳定构象中的三个活性位：N3、O4和O5与单价阳离子H~+、Li~+和Na~+相互作用的情况，比较分析了三活性位与同一阳离子相互作用时的相对强弱和同一活性位与三个不同阳离子作用时的成键顺序。

The structures and properties of nine derivatives, which are formed between two or three cations and the three active sites of the most stable glycine conformer, have been probed; And the binding strength between the different active sites of glycine and different cations have been compared in BSSE method.33. The activation parameters, coupling matrix element and so forth of Fe4+Gly system have been investigated with the hereto-exchange model and calculation scheme for weak coupling system.

鉴于一个甘氨酸分子就具备三个活性位和人体中大量阳离子的存在，在上述考察了甘氨酸分子的某一活性位结合了一阳离子之后，进一步探讨了其余两个活性位再与一个甚至两个阳离子继续作用所形成的九种衍生物的结构和性质。

The effect of the suppressor on the determination of cations was studied and the relationship between response conductivity of cations and suppressor current intensity was discussed.

探讨了离子抑制反应对阳离子测定的影响以及阳离子响应电导和抑制电流强度的关系。

The apatite with end-member cations, the apatite solid solutions [M-M1 AP] withdivalent cations substitution, the fluorapatite and the chlorapatite with end-memberations, the apatite solid solutions [Xi-X2 AP] with column-ions substitution were synthesizedthrough " solid-phase reaction method" in inert gas.

对不同Ca/P摩尔比HAP来说，在1.2≤R≤2.3范围内，随R值偏离正常配比程度的增大，其比表面积增大、晶粒尺寸ΓA，Γ(221，ΓR减小、晶形指数降低、结晶度减小、晶格缺陷度增大；当R=2.5时，晶粒尺寸和结晶度反而增大，出现反常，但晶格缺陷度却保持有规律增加。

The result showed that the one-valence cationsaccelerate the hydration process of α-hemihydrate gypsum greatly because they improvethe dispersed degree of α-hemihydrate gypsum particles due to the remarkable effect ofincreasing theζpotential; the effects of bivalent and trivalent cations on ζpotentialdecrease in turn, compared with monovalent cations, the effects on both the disperseddegree of α-hemihydrate gypsum particles and the setting time of paste are little.

研究还表明：由于一价阳离子能较大程度地提高石膏浆体的ζ电位，因而有效地提高了石膏颗粒的分散程度，对α半水石膏的水化加速作用很大，而二、三价离子对石膏浆体的ζ电位影响依次减小，对半水石膏颗粒的分散程度和浆体凝结时间的影响均不如一价阳离子作用大。

Next HOMO or HOMO-1 for the radical cations calculated by the ab initio 3-21+G^* method, and the atom-pair interaction energy determined by NMDO calculation, it is shown that when n is equal to or largey than 3 in the bridge chain (CH2)n for bicyclo diamine radical cations, the bridgehead nitrogen atoms form a weak N, N'-three-electron σ-bond through space.

通过比较这些阳离子几何构型，HOMO和NHOMO(即NextHOMO和HOMO-1)，和由MNDO计算确定的原子对作用能，表明当二氮双环游离基阳离子的桥链(CH2)n的n≥3时，桥头氮原子通过空间相互用用形成了一个弱的N，N'-三电子σ键。

A chromium free conversion coating at least equivalent in corrosion protective quality to conventional chromate conversion coatings can be formed on metals, particularly cold rolled steel, by a dry-in-place aqueous acidic liquid comprising: a component of anions, each of said anions consisting of at least four fluorine atoms and at least one atom of an element selected from the group consisting of titanium, zirconium, hafnium, silicon, and boron, and, optionally, ionizable hydrogen atoms, and optionally, one or more oxygen atoms; a component of cations of elements selected from the group consisting of cobalt, magnesium, manganese, zinc, nickel, tin, zirconium, iron, and copper; the ratio of the total number of cations of this component to the total number of anions of component being at least 1:5; sufficient free acid to give the composition a pH in the range from 0.5 to 5.0; a component selected from the group consisting of phosphorus-containing inorganic oxyanions and phosphonate anions; and a component selected from the group consisting of water-soluble and water-dispersible organic polymers and polymer-forming resins and, preferably, also including a component selected from the group consisting of tungstate, molybdate, silicotungstate, and silicomolybdate anions.

通过对包含以下成分的含水酸性液体进行干燥，可以在金属上形成无铬的转换涂层，该涂层与普通铬酸盐转换涂层相比，至少在抗腐蚀质量上等效：$_一种阴离子成分，所述各个阴离子包括至少4个氟原子，至少选自钛、锆、铪、硅与硼元素中的1个原子。任选地可离解的氢原子，任选地1个或多个氧原子；$_一种选自钴、镁、锰、锌、镍、锡、锆、铁与铜元素的阳离子成分，上述成分的阳离子总数与成分内的阴离子总数之比至少为1∶5；$_足够的游离酸以使该组合物的pH值在0.5～5.0的范围内；$_一种选自含磷的无机含氧阴离子与膦酸盐阴离子的成分；$一种选自水溶性与水可分散性有机聚合物与聚合物形成的树脂的成分，优选还包括一种选自钨酸盐、钼酸盐、钨硅酸盐与钼硅酸盐阴离子的成分。

It has been found that the cation exchange on diffusivity may play the role in different ways for different zeolites. When the diameter of the diffusant molecule is much smaller than the pore or cage size of the zeolite, the influence of exchanged cations is mainly by way of altering the electric field intensity (or the density of electric charge), the large the Z/r of the exchanged cations, the smaller the diffusivity; while the diameter of the molecule is apporsi- mately equal to the pore or channel size of the zeolite, the exchanged cations may affect the diffusivity by means of blocking up or narrowing the channels of the zeolite.

金属阳离子交换对扩散的影响表现为：当扩散分子的直径比分子筛孔道直径小得多时，交换阳离子以改变分子筛内部电场强度或电荷密度的方式影响扩散速度，阳离子的Z/r越大，扩散系数越小；当扩散分子直径与分子筛孔道直径相近时，交换阳离子则因堵塞或窄化孔道而改变分子的扩散速度。

The absorption and distribution of chromium were studied in ryeusing nutrient culture technique and pot experiment.

采用不同浓度K2CrO4(0，0.4，0.8和1.2 mmol/L)的Hoagland营养液处理黑麦幼苗，测定铬在黑麦体内的亚细胞分布、铬化学形态及不同部位的积累。

By analyzing theory foundation of mathematical morphology in the digital image processing, researching morphology arithmetic of the binary Image, discussing two basic forms for the least structure element: dilation and erosion.

通过分析数学形态学在图像中的理论基础，研究二值图像的形态分析算法，探讨最小结构元素的两种基本形态：膨胀和腐蚀；分析了数学形态学复杂算法的基本原理，把数学形态学的部分并行处理理念引入到家实际应用中。