查询词典 valence formula

The formation situation of the bond for metallocarboranes and metalloboranes is analyses with the bond valence formula for atomic cluster compound.

运用原子簇化合物键价公式，对金属碳硼烷和金属硼烷进行了成键情况分析，提出了碳硼金属三中心键和硼硼金属三中心键的概念，并指出了簇合物型、夹心型和多层夹心型金属碳硼烷的稳定存在主要是形成金属三中心键的缘故

The formation situation of the band for transition metallic carbonyl cluster compounds is analysed with the bond valence formula for atomic cluster compounds.

本文运用原子簇化合物键价计算公式，对过渡金属羰基簇合物成键情况进行了分析，利用金属键轨道数，价非键轨道数和金属配体成键轨道数计算簇合物价轨道总数。

Based on the average lattice and average atom models, effects of interstitial impurities on the valence electron structures and phase transformation of Ti-Al alloys are analyzed, and the degree of descension of bond energy, melting point and liquidus temperatures as affected by interstitial impurities are calculated by the bond energy formula of the EET.

应用固体与分子经验电子理论的平均晶胞和平均原子模型分析计算了间隙杂质对Ti-Al合金价电子结构和相变的影响。同时根据该理论的键能公式计算了间隙杂质影响下的键能、熔点和液相线的变化。

The non-relativistic energies and wave functions were determined by Rayleigh-Ritz method. The relativistic effects, including the correction to kinetic energy, the electron-electron contact term, and the orbit-orbit interaction, Darwin term, and mass-polarization effect on the energies were calculated by using first-order perturbation theory. In order to obtain a more accurate result for the larger Z system, the quantum-electrodynamics correction should be included. This correction to energy can be evaluated for the valence electron by using a hydrogenic formula with an effective nuclear charge, Z. The ionization potential, the excitation energies and the fine structure split-tings for a lithium-like ion with higher nuclear charge (Z=26) were calculated.

非相对论能量用Rayleigh-Ritz变分法确定，包括动能修正、电子—电子接触项、轨道—轨道相互作用项以及Darwin项的相对论修正和质量极化项由全实加关联波函数的一阶微扰给出，量子电动力学修正由有效核电荷方法和类氢公式计算；给出了较高核电荷(Z=26)类锂体系1s^2nl组态的电离能、激发能和1s^2np组态的精细结构劈裂。

The preferred organometallic compounds of the present invention are of the formula (R1)m M(PR23)x, where M is a metal selected from the group consisting of manganese, technetium, rhenium, iron, cobalt, nickel, ruthenium, rhodium, palladium, osmium iridium and platinum wherein m is 0, 1, 2, 3 or 4; x is 2, 3, 4 or 5 and m+x are 2, 3, 4, 5, 6, 7 or 8, m and x selected according to each metals appropriate valence; each R1 is independently selected from the group consisting of hydrogen, deuterium, N2, H2, D2 and a variety of substituted alkyl groups; each R2 is independently selected from the group consisting of lower alkyl, aryl, arylalkyl, and alkyl-Z, aryl-Z and arylalkyl-Z where Z is selected from the group consisting of oxy, silyl, siloxy, oxysilyl, siloxy, oxysiloxy, silyalkyl, oxysilylalkyl, siloxyalkyl, oxysiloxyalkyl, silylalkoxy, silylalkoxy, siloxyalkoxy and oxysiloxyalkoxy; and wherein when M is cobalt and one group R1 is selected to be N2, then m is 2 and the second group R1 is hydrogen or deuterium.

有机化合物的首选本发明的配方是米(R1代)米×(pr23)、那里是一米的金属挑选出来，第一组由锰、锝、铼、铁、钴、镍、钌、铑、钯、锇、铱铂其中M是0、1、2、3或4； X是2，3， 4或5米×+有2，3，4，5，6，7或8 米和X挑选合适的价按每个金属； R1的是每一组由独立选自氢、氘、氮、氢气、 D2和各种烷基取代群体； R2中的每个组由独立选自烷基低、芳、芳基烷基、烷基的Z、芳基、芳基烷基的Z-那里的ZZ是选自组风、含硅、氧、oxysilyl、硅、oxysiloxy，silyalkyl， oxysilylalkyl，siloxyalkyl，oxysiloxyalkyl，silylalkoxy，silylalkoxy，siloxyalkoxy和oxysiloxyalkoxy；其中，M是当钴一派R1的选择是氮气、然后是2米，第二组R1的氘是氢或者。

A new formula for the valence band effective states is obtained,and the effect of the conduction band effective states on the built-in electric field is considered for the first time.

重新拟合了价带有效态密度公式，并在计算内建电场时考虑了导带有效态密度的影响。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。