查询词典 bond energy

The binding energy of Zr-O bond shows that Zr is present in the ZrO2form and remains stable until 900℃ annealing.

ZrOx具有ZrO2的化学键，并在900℃保持稳定。

Though this way is different from those in which the bond enthalpy and equilibrium dissociation energy De can be obtained, the results of calculation are well in accord with experiment values of De.

该方法虽有别于求键焓和平衡离解能De，但计算结果和De的实验值甚相符合。

The density function theory B3LYP method with LANL2DZ basic sets is adopted to opt all possible geometrical structures of Tin (n=2~7) and to get the most stable structure. Then, the binding energy and Natural bond orbital of Ti clusters are calculated and discussed.

利用密度泛函理论中的B3LYP方法，选择LANL2DZ基组优化Tin(2~7)团簇得到各团簇的稳定结构，然后对稳定结构的束缚能及自然轨道进行分析。

If the laser is in ultraviolet-visible wave, photons activate choicely electron energy level or destroy weak bond of compound molecule, and result in chemistry reaction, which is photo leading decomposition mechanism, if the laser is in infrared wave, the chemistry reaction mainly is heat decomposition mechanism.

如果激光是可见紫外波段，光量子能量有利于选择性地激发分子的电子能级，或破坏化合物中弱键而诱导化学反应发生，化合物属于光致分解机理、引发弱键断裂机理；如果激光是红外波段，化合物表现的则是热分解机理。

With the increment of the Se mol ratio in the systems, the volume of unit cell is reduced , the energy of the system is increased, and the covalence bond component of Te(1)-Bi,Se(2)-Bi,Se(1)-Bi is gradually enhanced.

随着体系中Se原子摩尔比的增加，晶胞的体积减小，体系的能量增加，Te(1)-Bi键、Se(2)-Bi键、Se(1)-Bi键的共价键成份逐渐增强。

For boiling, all the covalent bond between the carbon atom have to be broken, therefore, it requires high temperture to provide large amount of energy to it.

要使石墨达到沸腾，必须要将所有的共价都打碎。所以，需要很高的温度还有能量。

Since most of the large molecules containing phosphorus element have double bonds, it is necessary to consider the special structures of double bonds in order to deal with these large systems more accurately. So, based on density functional theory and electronegativity equalization principle, applying a general atom-bond electronegativity equalization method , using separated program, through regression and least-squares optimization , the parameters of atoms and bonds in molecules are determined . By these parameters , the charge distributions and the energy of some molecules containing phosphorus element, especial the fragment of DNA, RNA, are calculated . The results are quite good.

由于这些含磷生物大分子体系都含有双键，为了明确的处理双键，进而更准确的解释带有双键和共轭双键的含磷生物大分子结构与性质的关系，我们以密度泛函理论~([1-4])和电负性均衡原理~([5-9])为基础，应用和开发原子-键电负性均衡方法中的σπ模型，利用最小二乘法，拟合确定了一些分子（含碳、氮、氧、氢以及磷等原子）的各种类型原子及化学键区域的参数，并利用上述参数计算了一些多聚核苷酸的电荷分布以及分子的总能量，进行了讨论，得到的结果可以和从头算相媲美。

When two people who fall into this kind of dyad meet, they bond instantly, like Krazy Glue."I feel as if I've known you all my life," they say, basking in the familiar narcissist-echo energy.

当处于二元的两人见面，他们就像胶水一样会立即志同道合，彼此说："我感觉似乎这辈子早就认识你了"，并沉浸在熟悉的那西塞斯--echo的环境下。

The interactions of dsDNA and ssDNA with two osmium complexes have been studied by surface electrochemical methods based on DNA modified electrode. It is found that both osmium complexes bond DNA with electrostatic interaction. And some thermodynamics and kinetics constants, such as bindind constant , ratio of binding constants K〓/K〓, limiting ratio K〓°/K〓°at zero ionic strength (μ＝0), free energy ΔG〓, dissociation rate constant k and binding site size s have been obtained.

研究发现两种锇配合物都是通过静电作用与DNA结合，并计算得到联吡啶锇和二氯菲咯啉锇与dsDNA和ssDNA相互作用的结合常数、结合常数比K〓／K〓、μ＝0时极限结合常数比K〓°／K〓°、结合自由能ΔG〓、解离速度常数k和结合位点数s等多个热力学和动力学参数。

In addition, it is intriguing that there is an excellent correlation between the electrostatic energy and ellipticity at the bond critical point of the aromatic π systems, which would be helpful to further understand the electrostatic interaction in the cation-π complexes.

另外，静电能和芳香π体系的键临界点上的电荷密度之间存在着很好的正相关性，这有助于进一步深刻理解阳离子－π体系中的静电相互作用。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。