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本文用Xα方法计算出不同价态与电子组态下锰、铁、钴、铜、锌及钼等过渡族重要生物微量元素和氮、氧、氟、磷、硫、氯、硒和溴等常见负电性元素的数值原子轨道和轨道电负性值,再用数值拟合方法得出这些原子轨道的单ξ和双ξSlater型基函数的指数.研究了这些元素的原子所带电荷和电子组态对其原子轨道指数与轨道电负性的影响,给出了相应的回归公式.这些公式有较高的精确度,不但为研究这些元素化合物的电子结构提供基础参数,也为电荷自洽型的计算提供较可靠的计算公式. 相似文献
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本文了水所酰异羟肟酸Salicyhydroxamicacid(SHA)测定微量钼的研究结果。实验说明,在PH6.7-8,SHA与Mo(Ⅵ)形成黄色络合物有稳定吸收。 相似文献
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The ground-state properties and quantum phase transitions (QPTs) of the one-dimensional bond-alternative XXZ model are investigated by the infinite time-evolving block decimation (iTEBD) method.The bond-alternative effects on its ground-state phase diagram are discussed in detail.Once the bond alternation is taken into account,the antiferromagnetic phase (Δ 1) will be destroyed at a given critical point and change into a disordered phase without nonlocal string order.The QPT is shown to be second-order,and the whole phase diagram is provided.For the ferromagnetic phase region (Δ-1),the critical point r c always equals 1 (independent of Δ),and the QPT for this case is shown to be first-order.The dimerized Heisenberg model is also discussed,and two disordered phases can be distinguished by with or without nonlocal string orders.Both the bipartite entanglement and the fidelity per site,as two kinds of model-independent measures,are capable of describing all the QPTs in such a quantum model. 相似文献
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应用光谱技术研究铽及铕与水杨基羟肟酸所形成的配合物的发光性能,并探讨配合物的形成,以及溶剂、pH值及稀土含量对发光强度和能量传递的影响。 相似文献
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70年代以来,国内外许多学者以脂肪类或芳香类的异羟肟酸为配体的常见金属离子配合物进行了不少研究,而以芳香异羟肟酸为配体的三价稀土离子的配合物迄今尚未见报道。作者合成了一些稀土一芳香异羟肟酸固态配合物,对它们的理化性质进行了研究,发现不少稀 相似文献
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Based on the first-principles of density functional theory, the structural stability,electronic and magnetic properties of the O-doped monolayer C_2N are investigated. In details, the lattice parameters, band structures, density of states and phonon dispersions of O-doped monolayer C_2N are obtained and analyzed. Our results show that the introduction of oxygen dopants can cause a significant local lattice distortion. The band structure indicates that monolayer C_2N is a semiconductor with a direct band gap of 1.631 eV. The electronic properties of monolayer C_2N can be regulated by oxygen dopant atoms with different numbers. However, doping nonmetal oxygen element in monolayer C_2N does not affect its magnetic properties. In other words, the pure and O-doped systems are all nonmagnetic. The phonon dispersions of all the O-doped cases are found to have not any imaginary frequencies, which indicates that the structures of these O-doped systems have good structural stability. 相似文献
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稀土—二酰异羟肟酸配合物的合成及应用研究 总被引:2,自引:1,他引:1
综述了异羟肟酸的合成以及制备稀土--异羟肟酸配合物的方法,概述了稀土-异羟肟酸配合物在各个方面的应用状况及前景。 相似文献