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利用遗传算法及Gastreich提出的经验势函数,研究了(BN)n(n=2-11)和SiBn-1Nn(n=2-11)团簇的可能稳定结构,对能量较低的异构体在HF/STO-3G水平进行优化,得到了(BN)n(n=2-11)和SiBn-1Nn(n=2-11)团簇稳定结构单环及线状结构,并进一步分析了单环的结构特征及相对稳定性。  相似文献   
3.
The relationship of resistivity versus synthesizing temperature of sol gel YBa_2Cu_3O_y samples was studied when prepared under flowing oxygen conditions. A set of high-temperature ρ-T curves was obtained for the whole process. After the sample finished the test measuring, its resistivity was ρ_{300}=9.83×10^{-3 }Ω·cm at room temperature. The ρ-T curve also showed that the orthorhombic-tetragonal phase transformation of sol-gel YBa_2Cu_3O_y sample occurred at 581℃ for the sample in the rising temperature process, but at 613℃ in the cooling process, lower than that of the samples made by using the conventional powder metallurgy methods.  相似文献   
4.
A method for the deposition of BN onto graphite and other substrates is described. Boron trichloride (BCl3) and ammonia (NH3) diluted with Ar were used as reacting gases. The deposition process was carried out at 1300 K as well as lower temperatures in an open system at pressures of 1 atm. The consequences of the introduction of hydrogen to the system were considered. It was demonstrated that the replacement of argon with hydrogen increases the efficiency of the process as well as the theoretical rate of BN deposition. However, the acceleration of the deposition seems to be unprofitable, because the resulting supersaturation leads to the formation of an amorphous phase. The modification of the experimental conditions were proposed.Dedicated to Professor Dr. rer. nat. Dr. h.c. Hubertus Nickel on the occasion of his 65th birthday  相似文献   
5.
研究了水-乙腈混合溶液中SO4●-自由基氧化酪氨酸的反应.实验结果表明,SO4●-自由基氧化酪氨酸的反应机制不因乙腈的加入而改变,但所产生的瞬态粒子的动力学行为受到较大影响.随介质中乙腈体积分数的增加,SO4●-的衰变速率减慢而酪氨酸中性自由基(TyrO●)的衰变速率加快.我们认为这两种自由基所呈现出来的相反的溶剂效应是由于其所带电荷的不同.随介质中乙腈体积分数的增加,SO4●-氧化酪氨酸的反应速率减慢.这一实验结果意味着,在有机溶剂存在的情况下TyrO●/ TyrOH的氧化还原电势可能发生了变化,从而旁证了关于TyrO●/ TyrOH的氧化还原电势因酪氨酸从游离状态变到肽或蛋白质中而发生变化的推测.  相似文献   
6.
利用X-射线衍射,扫描电镜,拉曼光谱,等离子发射光谱和比表面测定等方法研究了不同状态下失活及新鲜催化剂的结构,杂种类及含量。结果表明,超温使催化剂晶化明显,制备方法对催化剂结构有直接影响,再生使其强度降低,条形催化剂比较容易粉化,无机杂质是次要的失活原因。  相似文献   
7.
滕启文  吴师 《中国化学》2006,24(3):419-422
Equilibrium geometries of 16 possible isomers for C74(BN)2 were studied by INDO series of methods, to indicate that the most stable three geometries are those where boron and nitrogen atoms substitute carbon atoms located at the same hexagon near the longest axis of C78 (C2v) to form B-N-B-N unit. Electronic spectra of C74(BN)2 were investigated with INDO/CIS method. The reason for the red shift of UV absorptions for C74(BN)2 compared with those of C78 (C2v) was discussed. IR spectra for 9,8,28,29-C74(BN)2 and 28,29,30,31-C74(BN)2 were calculated on the basis of AM1 geometries.  相似文献   
8.
Girault  J.  Longueville  D.  Malgouyat  J. M.  Istin  B.  Lecomte  G.  Fourtillan  J. B. 《Chromatographia》1994,39(3-4):228-238
Summary A simple and sensitive assay has been developed for the quantitative measurement of a new platelet activating factor antagonist (BN50730), and its two main metabolites (BN50727 and BN50922), at the picomole level in human plasma and urine. The three compounds of interest and the internal standard (BN50765) were measured by combined LC-negative chemical ionization MS. A simple solid-liquid extraction procedure was used to isolate the parent drug and the two metabolites. The MS was tuned to monitor the intense ionm/z 333 generated in the ion source by a dissociative capture process. The assay was on 1 ml plasma or 0.1 ml urine and the quantitation limit was calculated as 1 ng·ml–1. The very low relative standard deviations and mean percentages of error calculated for within-day or between-day repeatability assays demonstrate the ruggedness of the technique for routine determination in biological fluids. Some preliminary results on the pharmacokinetics of the parent drug and its two main metabolites illustrate the applicability of this method.  相似文献   
9.
对Sialon的合成方法和相应的反应机理的研究成果进行了综述,并重点介绍了天然原料还原氮化合成Sialon的反应机理,指出天然原料合成Sialon的研究是未来几十年Sialon研究的一个重要方向。  相似文献   
10.
Textile and dye industries are main sources of dye bearing effluent. In present studies the anaerobic biological degradation of Acid Red 3BN dye water (AR3BNDW) and mixed dye water (MDW) for reduction of color and COD were studied in sequential batch reactor (SBR). The sludge as sources of microorganism was arranged from maize processing bio methanation wastewater treatment plant, which was acclimatized for treatment of AR3BNDW and MDW. After the acclimatization, dyes degradation were studied in SBR At optimum operation condition of hydraulics retention time (HRT) = 2.5 d, and treatment time (tR) = 16 h, AR3BNDW have gone maximum 87% color reduction of 500 mg/L dye, and 82.8% COD reduction of 380 mg/L COD. At same operating condition, 84.5% color reduction of 500 mg/L dye, and 79.42% COD reduction of 413 mg/L COD achieved for MDW. The second order Grau model was fitted well for COD and dye reductions. The kinetics parameter were evaluated for both the dye water.  相似文献   
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