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The equilibrium geometrical structures of small AlmFen clusters have been determined through ab initio calculation of the cluster total energy at the UB3LYP/Lanl2dz level. For dimers of iron and aluminum, the dissociation energies,
the equilibrium atomic distances, and the vibrational frequencies were calculated. The agreement between calculations and
experiments is reasonable. The ground stable geometrical structures of Fe4, FeAl3, Fe3Al and Fe2Al2 clusters favor three-dimension configurations, but Al4 tetramers are planar structures. The Al-rich tetramers are more stable than the other two composition tetramers. This is
different from that of bulk alloys. 相似文献
43.
A novel 18,19-seco-ursane saponin, aculeoside I (1), in addition to four known saponins were isolated from the leaves of Ilex aculeolata Nakai and identified by using spectroscopic and chemical methods. The structure of the new saponin was established as 3,19-dihydroxyl-16,21-epoxy-18,19-seco-13(18)-urs-ene-28-oic-acid-19-O-alpha-L-rhamnopyranosyl-(1 --> 2)-alpha-L-arabinopyranoside. 相似文献
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采用高效毛细管电泳法分离两对D-氨基酸取代的胸腺五肽类似物。对影响分离的缓冲液pH值、电泳温度、电泳电压等进行了系统的研究。用含20mmol/L2,6-二甲基-β-环糊精(DM-β-CD),40mmol/L磷酸盐缓冲液(Ⅰ:pH6.03;Ⅱ:pH5.05)作运行缓冲液,柱温15℃,电压20kV,使样品获得基线分离,取得了满意的分离结果。结果显示,两组样品的D-氨基酸取代物均比L-氨基酸取代物出峰早,提示D-氨基酸取代物的电泳移动速度较快,与DM-β-CD的结合稳定性较L-氨基酸取代物弱。 相似文献
47.
Yi Ming Liu Sui Ping Deng Hui Zheng Jian Ming Ouyang 《中国化学快报》2007,18(3):345-348
The ring patterns of calcium oxalate crystals were induced by domains in Langmuir-Blodgett (LB) films of dipalmitoylpho- sphatidylcboline (DPPC). The result was explained by the defects at the ring boundaries of liquid condensed (LC) and liquid expanded (LE) phases of LB film. These boundaries could provide less free energy and much more nucleating sites for COM crystals. 相似文献
48.
氢化物发生—分光光度法测定染发剂中的微量铅 总被引:1,自引:0,他引:1
本文提出了用铁氰化钾将铅氧化至高价,再用氢化物发生-分光光度法测定铅的一种新方法。该法灵敏度高,简便快速,用于分析染发剂中的铅,取得了较好的效果。 相似文献
49.
A new method for cadmium separation and concentration with microcrystalline phenolphthalein modified by crystal violet (CV) was developed in the paper. In the presence of potassium iodide (KI) and CV, cadmium are quantitatively absorbed on microcrystalline phenolphthalein in the pH range 1.0-6.0 as the forms of water-insoluble ion-associated complexes (CdI3−)·(CV+) and (CdI42−)·(CV+)2. Effect of different parameters such as phenolphthalein amount, stirring time, the concentration of CV and KI, various salts and metal ions was studied in detail. During the present study, a significant enhancement of the extraction of cadmium was observed. Cd(II) can be completely separated from Zn(II), Fe(II), Co(II), Ni(II), Mn(II), Cr(III) and Al(III) in this microcrystalline system and well concentrated without the interference of these metal ions at high level. The possible reactive mechanism of cadmium concentration has been discussed. Analytical results obtained by this new method were very gratifying. 相似文献
50.
ON A CLASS OF METHOD FOR SOLVING PROBLEMS WITH RANDOM BOUNDARY NOTCHES AND/OR CRACKS(Ⅱ) COMPUTATIONS FOR BOUNDARY NOTCHES 总被引:1,自引:1,他引:0
This work is a continuation of the discussion of [1], On a class of method for solving problems with random boundary notches and/or cracks, (I) by C. Ouyang (Appl. Math. & Mech., vol. 1, No. 2, 1980). Here computations for boundary notches are made by using the theory and formulas presented in [1]. In the computation modification is also made for the boundary conditions in parametric plane in [1]. Numerical results for examples show that within ranges of parameter considered in the paper, for example L, the present method in quite workable in practical computations. 相似文献