查询词典 labelled atoms

Concretely speaking, using the irreducible tensor theory, we deuced the formulism for fine-structure energies of boron-like atoms in the ground and first excited states, which involves spin-orbit, spin-spin and spin-other-orbit interactions; completing all the angular integrations and spin summations needed, we make the final expression for fine-structure energies of boron-like atoms in the ground and first excited states in a combination of radial integrations. Afterwards, employing the wave functions we got in Chapter Three, we accomplished all the radial integrations and so obtained the fine-structure energies.

具体地说，利用不可约张量理论导出了类硼离子基态以及第一激发态的精细结构的表达式，给出了自旋-轨道、自旋-自旋、自旋-其它轨道相互作用等所涉及的所有角向积分和自旋求和的解析计算方法，完成了角向积分、自旋求和的计算，使类硼离子基态以及第一激发态精细结构能级最终可以表示为径向积分之和；在此基础上利用以前所得到的非相对论性波函数，进一步完成了所有径向积分的计算，从而得到了对应能级的精细结构的理论计算值。

With the aids of the angular momentum coupling theory, the diagonal sum rule and the irreducible tensor theory, a formulism for calculating the matrix elements of Boron-like atoms' non-relativistic Hamilton between the Racah wave functions have been derived. Based on this approach, the non-relativistic energies of Boron-like atoms in the ground and the first excited states have been obtained.

本论文借助角动量耦合理论、对角和法则和不可约张量理论，导出了类硼离子基态和第一激发态非相对论性哈密顿在拉卡基函数之间的矩阵元的表达式，给出了计算类硼离子基态和第一激发态非相对论性能量的方法，并应用此法计算了类硼离子基态和第一激发态非相对论性能量。

It indicates that the N—O bonds in the singlet dimer adsorption configurations are weaker than any other structures, and this is propitious to the NO direct decomposition. 7. Unlike NO molecules interaction with copper atoms, when two NO molecules interact with the adjacent silver atoms, the non-planar structures are more stable than the planar.

同时，单重态的二聚体与相邻的金属铜和银原子作用时，由于电子从金属原子转移到二聚体上的数量最多，因此在这种吸附构型中，金属原子被离子化的倾向最大，同时使得二聚体中N—O键被削弱的程度也最大，有利于NO的直接分解； 7。

It crystallizes in the monoclinic space group C2/c, with a=1.6953(3)nm, b=1.9241(4)nm, c=1.7760(4)nm,β=94.75(3)°. Each Gd ion is coordinated by two oxygen atoms from two different radicals NITPh(OCH3)3 and six oxygen atoms from three hfac molecules to form eight-coordinated dodecahedron geometry.

Gd离子采取八配位的模式，两个氮氧自由基作为单齿端基配体分别以氮氧基团的氧原子与Gd离子配位，三个六氟乙酰丙酮阴离子分别以两个氧原子与Gd离子配位，构成十二面体。

Due to the different drift velocity of Bi atoms and Sn atoms under high current density, the electromigration properties of eutectic SnBi are unique.

由于铋原子和锡原子在高电流密度下具有不同的迁移速率，因此共晶锡铋钎料具有独特的电迁移特性。

The further way from you the atoms are, the greater will be what we call the gravitational potential difference between you and those atoms.

离你越远，你和这些原子之间的原子能就越大，我们称这个原子能叫引力势差。

In one embodiment, the invention is a system for initiating free radical polymerization comprising: a in one part, one or more amido-borate compounds containing one or more anionic amido-borate moieties comprising an organoborate wherein the boron atom is bonded to a nitrogen atom of ammonia or an organic compound containing one or more nitrogen atoms, such as a hydrocarbyl amine, a hydrocarbyl polyamine, or an aromatic heterocycle containing one or more nitrogen atoms and optionally containing one or more heteroatoms or heteroatom containing functional moieties, and one or more cationic counter ions and b in a second part, a liberating compound which reacts with the nitrogen atom bound to the boron atom upon contact with the amido-borate to form an organoborane radical.

在一个实施方案中，本发明是引发自由基聚合的体系，包括：a在一个部分中，一种或多种含有一个或多个包含有机硼酸根的阴离子酰氨基-硼酸盐部分和一个或多个阳离子抗衡离子的酰氨基-硼酸盐化合物，其中的硼原子键合到氨的氮原子或含一个或多个氮原子的有机化合物，例如烃基胺、烃基聚胺或含一个或多个氮原子和任选含一个或多个杂原子或含杂原子的官能部分的芳族杂环的氮原子上，和b在第二部分中，在与酰氨基-硼酸盐接触时与键合到硼原子上的氮原子反应形成有机硼烷基团的释放化合物。

B3LYP /aug-cc-pvDZ level of theory is applied to study the geometric structures, hyperconjugation and exchange repulsion of 13 isoelectronic equivalents of benzene obtained by successive replacement of CH groups by nitrogen atoms in benzene. More attention is paid to discussing how the energetic properties change upon the number of N atoms.

采用密度泛函理论的B3LYP方法在aug-cc-pvDZ基组上研究了13种苯及其含氮等电子体化合物的分子结构、能量和异构体相对稳定性，重点考察了含氮量对化合物含能性质的影响。

An intramolecular connection that spans atoms or groups of atoms.

一个分子内原子间共用一对电子的化学键。

When Xe concentration increases, electrons are more likely to ionize Xe atoms in stead of Ne atoms.

当氙气比例增加，电子会倾向於游离氙原子，造成平均电子温度下降。

More direct, directer ; most direct, directest

径直的，笔直的

Do you know how to use a chain saw?

你知道如何使用链锯吗？