查询词典 ionized atom

The results show that the transition between HOMO and LUMO in the three compounds is the electronic transformation from C1, C2, C3 and C4 to hetero-atoms (N atom in pyrrole, O atom in furan and S atom in thiofuran).

结果表明，这三种五元化合物HOMO到LUMO的跃迁是电子从C1、C2、C3和以转移到杂原子（毗咯中的N原子，呋喃中的O原子和噻吩中的S原子）上，并在6-31G水平上用单激发组态相互作用方法分别计算了三种物质的荧光光谱，所得计算结果与实验值基本符合。

N-(2-hydroxyethyl) salicylaldimine is coordinated in tridentate coordination mode. The coordinated atom of the ligand includes oxygen of hydroxybenzene, oxygen atom of hydroxyethyl, and nitrogen atom of imine.

配体N-（2-羟乙基）水杨醛亚胺以三齿方式配位，其配位原子包括酚羟基氧原子，醇羟基氧原子和亚胺基氮原子。

Both iron atoms of the binuclear unit are bridged by one oxy atom and two acetate groups. Each iron atom is also bound to facially - coordinating tridentate IDB ligand with the aliphatic nitrogen donor situated trans to theμ- oxy atom. Each iron centers is in a distorted octahedral symmetry.

每个双核单元的两个铁原子均通过一个氧原子和两个醋酸根连接，每个铁原子同时还与位于桥氧原子对位的三齿配体IDB重脂肪链上氮原子相结合，每个铁中心为一变形八面体结构。

Each plane passes through the N atom and one of the H atom s, and bisects the line connecting the other two H atom s

每一个对称面都通过N原子和一个H原子，且平分其他二个H原子连线。

Embedded atom method is a microcosmic model atom scale, which describes the relationship between the interplaying energe of an atom system and the property, site, electron effection of the atoms of the system.

嵌入原子方法就是这样一种原子尺度的微观模型，它描述的是材料中原子系统相互作用的总能量与原子的性质、位置、电子的等效影响之间的关系。

The result shows that two atoms entanglement evolution property is opposed to atom-field entanglement evolution property when the coherent amplitude factor was zero or small. The interaction of the atoms and the field weaken the entanglement degree of atom-atom.

结果表明：当相干态振幅参量为零或很小时，两原子间纠缠度随时间演化规律和场-原子纠缠度随时间演化规律几乎相反，场-原子间的纠缠削弱了两原子间的纠缠。

It was shown by further research that the formed tungsten oxide had an obvious layer-like structure, where from outer to inner layer the valence of tungsten increased and the reduction degree decreased. The carbonization of W depended on the replacement of W atom at the center of the body-centered cubic by C atom and the minor adjustment of C atom position and the lattice parameters.

深入研究表明，氧化钨碳还原颗粒具有明显的层状结构，自外到内钨的化合价递增，还原程度降低；钨的碳化是碳原子替换体心立方钨晶胞的中心钨原子，然后碳原子转换到钨原子点阵间隙再经晶胞常数微调而形成。

According to the experimental results the reaction mechanism of gasification is proposed: firstly, the catalyst releases an oxygen atom from its rich-oxygen site to combine with a carbon atom and create a CO, then the CO molecule desorbs from the catalyst surface; next, the catalyst absorbs a CO2 molecule; and finally on the catalyst surface another CO molecule is created and the original rich-oxygen site gets an oxygen atom. On the basis of gasification process the material balance equations were built, which were solved by using numerrical integral methods and the reaction rate constants for four steps were obtained: they are 0.0703mol·g-1·min-1·kPa-1, 0.0959mol·g-1·min-1·kPa-1, 0.00539 mol·g-1·min-1 and 0.0321 mol·g-1·min-1·kPa-1 respectively.

根据实验结果推导得出了该反应过程是催化剂表面富氧活性部位先与煤焦反应生成一个CO分子，然后此CO分子从催化剂表面脱附，接着催化剂吸附气态的CO2生成一个CO并且夺得一个氧原子实现自身还原的过程，在此基础上建立了煤的催化气化的物料平衡方程组，对各步骤的反应速率常数进行了求解，在本文采用的实验条件下，各反应步骤的反应速率常数分别为0.0703 mol·g-1·min-1·kPa-1；0.0959 mol·g-1·min-1·kPa-1；0.00539 mol·g-1·min-1·kPa-1； 0.0321mol·g-1·min-1·kPa-1。

Firstly, the diffusion of oxygen atom from the SFCC to SHCP on Zr(0001) surface is calculated. The active energy for the diffusion is 0.77eV. Secondly, the diffusion of oxygen atom from the SFCC to Octa(2,3) via Octa(1,2) is calculated too. There are 2 energy barriers for oxygen atom to overcome, the active energies are 2.14eV and 2.57eV.

我们首先计算了氧原子从稳定的表面面心立方位置向表面六角密排位置的扩散，其扩散激活能为0.77eV；然后计算了氧原子从稳定的SFCC位置扩散到表面下第1层与第2层之间的八面体间隙Octa(1，2)位置，然后继续向表面下第2层与第3层之间的八面体间隙Octa(2，3)位置扩散，在此过程中氧原子需克服2个能垒，其激活能分别为2.14eV和2.57eV。

By use of some atom parameters in optical-field-ionized plasmas obtained from the extended Cowan program based on Maxwell to suit any electron distribution with the help of additional program, the peak gain coefficient of Ni-like Kr system is calculated for the ion densities of 1×10 17 cm -3 and 3.2×10 17 cm -3 respectively after considering Doppler broadening and natural broadening.

利用自行编制的辅助程序将原来仅以麦克斯韦分布为基础的Cowan程序推广到适用于任意电子能量分布情形下获得的光场感生电离等离子中的一些原子参数，在考虑多普勒加宽和自然加宽，对离子数密度分别为1×1017cm-3和3.2×1017cm-3的情况下的类镍氪系统的增益系数进行了估算，理论上的峰值增益系数为14cm-1、141cm-1。

Pradeep Indulkar, a senior official at the Maharashtra state Home Ministry say 101 human were killed and 287 injured.

马哈拉施特拉邦内政部高级官员Pradeep Indulkar称，有101人在冲突中丧生，287人受伤。

Mark Frei, a senior vice president of West, says 80% of West's homeagents have some college education, compared with 30% of those whowork in office-based call centers.

Frei说，该公司80%在家办公的人员都拥有本科学位，而在公司电话中心工作的人中只有30%拥有本科学位。