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The frontier orbital energies and total atomic charges of the optimized and active Huperzine A molecules showed that the electron transfer should have happened from the active site of enzyme to Huperzine A in the complex, the changes of the energies, atomic charges, bond lengths and the Mullicken Bonding Population revealed the strong interaction between Huperzine A and enzyme.

石杉碱甲分子的能量以及键长、键级的变化都表明酶和底物之间有较强烈的结合作用。

We have discussed the changes of spin density and atomic charge on B-site as the crystal parameters are individually expanded or compressed from 0.02% to 0.2%(and, from 0.5%~5.5%).

单晶格及双晶格的计算中，虽然随著晶格膨胀或压缩的维度的增加，Mn中的电子自旋密度和原子电荷的变化均趋缓，但整体而言电子自旋密度仍然受到晶格参数的高度影响。

This is the atomic element—for a news site, it's the story page; for a search engine, it's the search result; for a store, it's a product page.

这就最基础的元素——在一个新闻站上它就是具体的新闻内容页，搜索引擎中它就是结果的显示页，在产品目录中它就是具体产品页。

Remember that smallest, deepest element I described earlier This is the atomic element—for a news site, it's the story page; for a search engine, it's the search result; for a store, it's a product page.

还记得我前面所提到的那写最细小最底层的元素吗这就最基础的元素——在一个新闻站上它就是详细的新闻内容页，搜索引擎中它就是结果的显示页，在产品目录中它就是详细产品页。

The diffusion mechanism wherein net atomic migration is from lattice site to an adjacent vacancy.

一种扩散机制，此时原子的净迁移是从晶格节点位置迁移到相近的空位中。

For the first time, Curie temperature and the properties were improved obviously by A-site substitution with A-deficiency, based on the effects of atomic radius and stress on the Curie temperatures.

结合原子半径和应力对材料居里温度的影响，首次利用A位含缺位的复合取代CaBi〓Ti〓O〓中位于A位的Ca，获得了居里温度和压电系数同时大幅度提高的高T〓压电陶瓷。

Based on the effects of atomic radius on the Curie temperature, new bismuth layer-structured piezoelectric ceramics Ca〓〓Bi〓Ti〓O〓 with high Curie temperatures and piezoelectric activities were obtained by A-site substitution for Ca.

本论文从取代原子半径对居里温度的影响入手，利用碱金属原子Li，Na，K和Ce原子复合取代层数m=4的铋层状铁电体CaBi〓Ti〓O〓中位于A位的Ca原子，在保持材料高居里温度的前提下获得了压电系数d〓明显改善的铋层状结构压电陶瓷。

The type of auction could be related to the theme of your site.

类型的拍卖可能涉及的主题，你的网站。

I think this auction site is easy to use.

我觉得这个拍卖网站容易使用。

The claim was made in an audiotape posted on an Islamist Web site.

上述宣言出现在一个伊斯兰网站的录音里。

However, as the name（read－only memory）implies, CD disks cannot be written onorchanged in any way.

然而，正如其名字所指出的那样，CD盘不能写，也不能用任何方式改变其内容。

Galvanizes steel pallet is mainly export which suits standard packing of European Union, the North America. galvanizes steel pallet is suitable to heavy rack. Pallet surface can design plate type, corrugated and the gap form, satisfies the different requirements.

镀锌钢托盘多用于出口，替代木托盘，免薰蒸，符合欧盟、北美各国对出口货物包装材料的法令要求；喷涂钢托盘适用于重载上货架之用，托盘表面根据需要制作成平板状、波纹状及间隔形式，满足不同的使用要求。