查询词典 atomic density

By density functional theory B3LYP method with 6-31G basis set, the geometry and electronic structure of the natural inhibitor and derivatives of Adenylosuccinate synthetase were optimized and their thermodynamic stability was also analyzed. The relationship between their electronic structures and bioactivities were discussed based on the Mulliken bond order, atomic net charge distribution and molecular surface electrostatic potential.

利用密度泛函B3LYP方法选择6-31G基组对腺苷酸琥珀酸合成酶天然抑制剂及其衍生物的结构进行优化，并对其稳定性进行了分析，同时采用Mulliken键序、原子电荷分布、表观静电势等对AdSS抑制剂及其衍生物电子结构与其生物活性相关性进行了理论研究。

You can plot data for a range of elements for properties like the density or the atomic mass.

你也可以使用一定范围内元素的密度、原子质量等元素性质来构建图表。

By compressing relative density of atomic matter.

从而达到屏蔽磁能的效果

It means that dilapidated atoms pressed by self attraction produce differentiation according to the size of atomic density.

残破的原子在自引力作用形成的压力作用下，按原子密度的大小产生分异，"内核"多为显示有正电性能的密度较高的残破原子组成，"外核"为富含"公有化"电子而显示负电性能的密度相对较低的残破原子组成，这是一个地核物质量子状态变化的静态过程。

It was the large excess entropy of interface phase with a lower atomic density and high degree of disorder that stabilizes the formed nano-structure.

正是低原子密度且高度无序界面的过剩的熵稳定了所形成的纳米晶结构。

Inserting the atomic mass number and density into our computational formula ,we obtain the values of the radius of the the metallic atom .

把原子的质量数目和密度代入计算式，我们得到了70 种金属原子半径的值。

If the atomic density is small10~(13atoms/cm~3 or less such that local field effects are unimportant.

如果原子密度很小10~(13atoms/cm~3或更小，局域场效应可以忽略不计。

The electronic structure and magnetism of clusters Nin(n=2-6) have been studied by spin-polarized MS-Xα method. The results show that the effect of the cluster symmetry on its atomic magnetic moment and electronic density of states is very notable.

采用MS-Xα方法研究了Nin (n=2—6)原子簇的电子结构和原子磁矩，发现团簇的几何对称性对原子磁矩和电子态密度的分布有重要影响。

For the request of the high resolution ability of X-ray imaging, the inorganic scintillating materials with high effective atomic numbers and high density are studied intensely.

针对X射线高分辨成像的要求，具有较高有效原子序数和较大密度的无机闪烁材料成为当今研究的热点，重点阐述了溶胶－凝胶法制备这类闪烁薄膜的研究现状，并对其今后的发展进行了展望。

With quantum chemical calculation, all the information about electronic and spatial structures of specific compounds can be obtained, including molecular orbital energy level, atomic charge density, polarizability, and electrostatic charge of molecules.

通过对化合物进行量子化学计算，可以获得有关分子的电子结构和立体结构信息，如分子轨道能级、原子的电荷密度、极化率以及分子的静电荷等。

After explaining total design of automated test system for microcircuit , the thesis introduces GPIB standard .

文章在说明了微电路模块自动测试系统的总体设计后，对GPIB标准进行了介绍。

He interceded in my behalf.

他替我说情。