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2.Herman and S.Skillman with Hartree method. inspected, sysetmatically the change of energy at atomic Valence Orbital from helium to lawrencium (He—LW).
Skillman用Hartree方法计算得到的原子轨道能的数据(1963)为依据,系统地考察了从氦到铹(He—Lw)原子的价层轨道能量变化情况,进而探讨了原子轨道的钻穿作用问题。收藏指正
3.On the basis of adjacency matrix,a novel connectivity indexes of mXD and its converse index mXD′ were constructed from an approved new atomic valence δdi.
提出了一个新的原子点价δdi,并在分子图的邻接矩阵的基础上,由δdi建构新的连接性指数mXD及其逆指数mXD′。收藏指正
4.This paper constructs potential energy of action each other between the alkali metal atomic kernel and the valence electron, Aad using perturbation theory, derives the expression of energy level for the alkali metal atom fine structure, It also prestents a new approach about derives equation of energy level for the univalent atom orion fine structure.
本文构造了碱金属原子实与价电子的相互作用势,并利用微扰方法,在合理的近似下,正确地导出了碱金属原子精细结构能级的表达式. 找到了推求单价原子(或离子)精细结构能级公式的一种新途径.收藏指正
5.The atomic and electronic structures, valence state, bonding and composition at interface and defects in materials can be characterized by phase contrast imaging/Z-contrast imaging in combination with electron energy loss spectroscopy at sub-Angstrom spatial resolution and sub-eV energy resolution, using FEG TEM/STEM equipped with monochromator, spherical aberration corrector and filter with high energy resolution.
在配置球差校正器、单色器和高能量分辨率过滤器的FEGTEM STEM中,用相位衬度像 Z衬度成像与原位电子能量损失谱分析方法,在亚埃的空间分辨率和亚电子伏特能量分辨率下,可以研究各种材料的原子尺度界面和缺陷的原子和电子结构、价态、成键和成分等。收藏指正
6.A functional-link net(FLN) was employed to correlate a set of atomic structural descriptors, such as electric charges ( Z), ionic radii ( r), electron numbers in the valence layer (f, d, s) , principal quantum numbers in the outer-shell ( n ) , electronegativity (xp ) , and the factor of adaptive valence orbit number(w) of the metal ions with known stable constants (logK) of ethylenediamine tetraacetic acia complexes of 60 metal ions.
采用函数连接型网络,以金属离子的电荷、离子半径、价电子结构、电负性及适配价轨道数因子为描述参数,成功地关联了近60种已知的金属-EDTA络合物稳定常数logK值,并在此基础上,预报了包括所有锕系元素在内的20种金属-EDTA络合物的logK值.收藏指正
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