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Similar to the oxidation process of Si(111)-7×7 by water,the gradual insertion of S atom into Si_a-Si_s backbond is possible to occur,and the insertion pathway,which begins with directly destroying Si_a-Si_s backbonds by a foreign H_2S molecule,remains more favorable.However,when H_2S attacks at the Si_a site to split Si_a-Si_s backbond with its S or H atom,there is no distinct thermodynamical and kinetical difference between these two attacking behaviors,whereas Si_a-Si_s backbond is easilier broken when H_2O attacks at the Si_a site with its O atom.This mainly lies in the fact that the electronegativity of oxygen is larger than that of sulfur.

5类似于H_2O对Si(111)-7×7的氧化历程，S原子逐步插入Si_a-Si_s键是可以发生的，且H_2S直接打开Si_a-Si_s键进而使S原子插入的途径仍是动力学上较为有利的，但H_2S以S或H原子进攻Si_a位从而打开Si_a-Si_s键的两种反应机制在动力学和热力学上并没有表现出明显的差别，而当H_2O以O原子进攻Si_a位时，Si_a-Si_s键则较容易断裂，这应归因于O的电负性比S大。

The results indicate that [(L 1) 2SnEt 2] can selectively bind to the N 1 atom of the base and the phosphate oxygen atom of AMP and may further destroy the helical structure of DNA, while the dimethyltin compound of 1,3 dimethyl 4 acetyl 5 pyrazolone [(L 1) 2SnMe 2] merely binds to the the phosphate oxygen atom of AMP and causes the contraction of DNA helical structure.

结论3 二甲基 4 乙酰基 5 吡唑酮的二乙基锡配合物(L1 ) 2 SnEt2 可与AMP 的碱基N1 和磷酸根氧原子螯合并可能会破坏DNA 的双股螺旋结构；而二甲基锡配合物(L1 ) 2 SnMe2 易与单核苷酸的磷酸氧结合，难以与单核苷酸的碱基氮原子稳定结合且只引起DNA 双股螺旋的收缩

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。

The dissecting of samples in group2 were difficult. The root of pulmonary artery and ascending aorta failed to be unfolded because fibrous tissue was tough, right and left fibrous trigone were too firm to be solved by hand. Cardiac muscle fibers couldn't be stripped along myofibrillar trajectory since they were prone to break because of their friability.

组2的心脏解剖困难，表现为纤维组织坚韧，游离肺动脉非常困难；徒手无法松解左、右纤维三角，肺动脉和主动脉根部的游离非常困难；心肌纤维坚硬、质脆，解剖时容易断离成碎块，无法沿纤维走行方向剥离。

We have battled against the odds in a province that has become increasingly violent.

我们对在一个争夺日益激烈省的可能性。