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21.
Alexander Zeller 《Journal of organometallic chemistry》2006,691(21):4379-4385
The ethylene polymerization reaction of a neutral nickel catalyst was studied by DFT calculations at the Becke3LYP/6-31G(d) level of theory. As in related cases a β-agostic bond stabilizes the nickel alkyl ground states. Transition states for the insertion of the olefin show a distinct α-agostic interaction, which has not been observed for late metal polymerization catalysts before. An ethylene-alkyl complex was identified as the resting state of the reaction. The overall barrier height of the reaction amounts to 17.54 kcal/mol, which slightly increases to 17.60 kcal/mol for the polymerization of deuterated ethylene. Therefore, a small positive kinetic isotope effect (kH/kD = 1.09) can be calculated, which is caused by the α-agostic interaction in the transition state. A comparison to other late metal based polymerization systems reveals that the ethylene coordination step of highly active catalysts is significantly lower in energy compared to catalysts which are only moderately active. 相似文献
22.
M. Georgelin A. Pocheau 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,4(2):169-174
The polycrystalline perovskitelike manganese oxides La1-xAxMnO (A = Na, and K, ) have been fabricated by sol-gel technique. For all the compositions explored in this work, the average manganese oxidation
state is practically constant, at for A = Na, and for A = K, respectively. A close relationship is confirmed to hold between the Curie temperature (Tc) and the bond distance of Mn-O. Results of magnetic measurements show that these materials can be utilized as suitable candidates
for magnetic refrigerants with wide applied temperature span, for their significant entropy change and the easily tuned Curie
temperature.
Received: 12 September 1997 / Revised: 18 December 1997 / Accepted: 21 January 1998 相似文献
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24.
通过建立具有平面近横向各向异性场的非晶态合金薄带及膜的磁畴结构模型,利用线性化Maxwell方程组及Landau-Lifshitz方程,推出了在高频交变磁场及外加面内轴向直流磁场Hex作用下的铁磁材料的与取向相关的磁导率表达式,得到了对方位角平均的相对磁导率及阻抗的计算式,导出了磁导率与张量磁化率分量间的关系,对材料磁导率的实部及虚部随Hex的变化进行了计算,并给出了对应的磁谱图.建立的磁导率与外磁场的理论关系可将Panina及Kraus给出的理论结果统一起来.
关键词:
非晶态合金薄带及膜
取向相关磁导率
GMI效应理论与计算
近横向各向异性场 相似文献
25.
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27.
一种利用电光效应测量微小转角的新方法 总被引:4,自引:1,他引:3
利用线性电光效应发展出一种新的、高准确度的微小转角测量法.根据W.L. She等人提出的线性电光效应耦合波理论,求得出射光强与入射光强比值(即出射率)对入射光方向的依赖曲线,利用该曲线,通过测量出射率可以确定入射光的方向.并根据此原理,设计了一套简单的装置,该装置可以测量出物体微小转角的变化量,同时测量范围及准确度都可通过外加电场和入射光波长加以调节.对此微小转角测量法作了理论分析,在LiNbO3器件上,得到测量范围大于3′,准确度为3.5″的设计结果. 相似文献
28.
本文对生物组织电穿孔中的热效应问题进行了计算研究。结果表明生物组织电穿孔过程中,选用不当的脉冲电压参数,会对组织造成严重的热损伤。若采用相同的烧伤阈值来描述热损伤范围,则相同电脉冲参数条件下在体组织比离体组织受到的热损伤更大。 相似文献
29.
Elena Kardash-Strochkova Yakov I. Tur’yan I. Kuselman Naphtali Brodsky 《Accreditation and quality assurance》2002,7(6):250-254
The results of two interlaboratory comparisons of acid number determinations in used motor oils are discussed. It is shown
that the comparability of the measurement results is not as good as that required by known standards for petroleum products.
The problem is motor oil contaminants which accumulated during use, and which are the source of a matrix effect in the acid
number determination. The standard methods’ drawbacks are analyzed and some improvements are proposed. Repeatability and accuracy
of the improved methods are evaluated.
Received: 11 December 2001 Accepted: 15 February 2002 相似文献
30.
Non-stoichiometric ternary chalcogenides (Zn,Fe)S were prepared in the film form by pyrolytic spray deposition technique, using air/nitrogen as the carrier gas. The precursor solution comprised of ZnCl2, FeCl2 and thiourea. The depositions were carried out under optimum conditions of experimental parameters viz. carrier gas (air/nitrogen) flow rate, concentration of precursor constituents, nozzle substrate distance and temperature of quartz substrate. The deposited thin films were later sintered in argon at 1073 K for 120 min.The structural, compositional and optical properties of the sintered thin films were studied. X-ray diffraction studies of the thin films indicated the presence of (Zn,Fe)S solid solution with prominent cubic sphalerite phase while surface morphology as determined by scanning electron microscopy (SEM) revealed a granular structure.The chemical composition of the resulting thin films as analyzed by energy dispersive X-ray analysis (EDAX) reflected the composition of the precursor solutions from which the depositions were carried out with Fe at% values ranging from 0.4 up to 33.SEM micrographs of thin films reveal that the grain sizes of the thin films prepared using air as carrier gas and N2 as carrier gas are in the vicinity of 300 and 150 nm, respectively.The diffuse transmittance measurements for thin films, as a function of wavelength reveal the dependence of direct optical band gap on Fe content and type of phase. 相似文献