The effect of electronegativity and valence electron orbit energy topological index on superconductive critical transition temperature of doping MgB_2 system 电负性/价电子轨道能拓扑指数与MgB2体系转变温度的关系
A method to calculate new valence electronegativity and the ionicity of chemical bond of the transition metal elements is also presented here. 提出了计算过渡元素新价态电负性和化学键的离子性的方法。
A new formula, which is applied to the calculation of valence covalent radius of the transition metal elements, is presented. 提出了计算过渡元素价态共价半径的公式;
The resonating valence bond transition temperature T_ ( RVB) as a function of doping δ is calculated by going beyond the mean-field approximation. The results show that the higher order corrections are unimportant for discussing the change of T_ ( RVB) with doping δ. 在超出平均场的理论框架下,计算了共振价键态的转变温度T(RVB)随掺杂浓度的变化,结果表明在定性讨论范围内高阶修正并不重要。
Calculation and Analysis of Bond Valence of Transition Metallic Carbonyl Cluster Compounds 过渡金属羰基簇合物的键价计算和分析
The application and calculation of the valence covalent radius and the electronegativity of the new valences in the transition elements(ⅳ) 过渡元素价态共价半径及其新价态电负性的计算和应用(Ⅳ)
The UV-Vis spectrum investigation was made on a series of the low valence dinuclear complexes, especially for λ> 300nm, it is for d-d electron transition character. At the same time, the preliminary quantum-chemical calculation was performed on the individual complex. 对一系列低价态双核原子簇化合物的UV-Vis光谱进行了定性研究,尤其是λ>300nm处,发现过渡金属的d-d电子跃迁行为,并对个别化合物进行初步量子化学处理。
In the sometime, the mechanism of hybridization of the Fe 3d hand with the metalloid valence orbitals and the electron tranfer between transition metals was used to explain the experimental results for the amorphous transition metals ( TM)-metalloid ( Met) alloys. 同时,用类金属的键合作用和金属原子的转移效应较好地解释了非晶态过渡金属(TM)-类金属(M)合金的实验现象。
Valence Band Density of States of Transition Metal Silicides Studied by Soft X-Ray Emission Spectroscopy 软X射线发射光谱法研究过渡金属硅化物的价电子能带结构
Mn, Co, Ni with transformable valence state as transition elements are important factors to increase further the state density; 易变价过渡元素Mn,Co和Ni对进一步提高受主态密度起重要作用;
The captured sulfur result may increase through decreasing high valence aluminum element and transition metals element content and increasing the low valence vivacious metal element content. 得出了降低煤灰中高价的铝元素及高价过渡金属元素含量和提高低价活泼金属元素的含量都可以提高煤炭燃烧固硫效果。
Results reveal that using UV-Vis and FTIR techniques can determine the valence state and position in the periodic table of the central ions in transition metal porphyrin complexes. 研究发现,可以应用紫外-可见及红外光谱对过渡金属卟啉配合物中心离子的价态及其在周期表中的位置进行初步判断。
Using X-ray absorption fine structure ( XAFS), the author analysed the valence and coordination number changes of Ni atoms in the process of lithium-ion inserting, inferring the possible process of lithium-ion reducing transition metal oxides. 采用X-射线吸收精细结构(XAFS)分析在锂离子嵌入过程中Ni原子的化合价和配位数的变化,推测金属锂还原过渡金属氧化物的过程。