查询词典 electrostatic

The result indicates that there is a good correlation between the distribution of molecular steric and electrostatic field and bioactivity.

结论说明该系列化合物的分子立体场和静电场的分布与生物活性之间有良好的相关性。

The steric and electrostatic fields of two models are similar.

这些结果为进一步的药物设计奠定了良好的基础。

The contributions of steric and electrostatic fiejds to the activity are 33. 0% and 67. 0%, respectively....

该模型的离散图为改造此类化合物的结构提供理论依据和研究方向。

The results show that the contributions of steric and electrostatic fields to the activity are 90.3% and 9.7%, respectively.

用CoMFA方法对一组含氟农药分子的抗小麦赤霉病活性进行了定量构效关系研究。

By using an empirical potential of free energy on dsDNA which was obtained experimentally by Strey, a relation between total energy of chip and some factors, such as nanogeometric, physical. chemical characteristics of DNA, geometric dimension, macroscopical mechanical properties of chip, etc was formulated under the consideration of mechanical energy of microcantilever beam, electrostatic energy, configuration entropy, and osmotic energy of gene-layer.

首先，在考虑微悬臂梁机械能和基因层静电能、构型熵、渗透能的情况下，借助Strey通过实验得到的双链DNA自由能的经验势，建立了DNA纳观几何、物理、化学特征以及芯片几何尺寸、宏观力学性能等因素与基因芯片总能量之间的关系。

First, ab initio calculations have been performed at the HF/6-31G level of theory for 27 indazolyl urea compounds (using 1H-indazole tautomeric form). On the basis of optimized structures, five kinds of topological indices, electrostatic potentials as well as their statistically-drived quantities have been obtained.

首先，采用1H-吲唑异构形式，对27个TRPV1通道拮抗剂分子进行了HF/6-31G水平上的结构优化，在优化结构上进行了5类拓扑指数和分子静电势及其导出参数的计算。

Previous studies by others and this laboratory on the allosteric effect of hem oglobins have suggested that the electrostatic replusive cavity at the center of tetrameric moiety plays a substantial role in regulating O2 transport prope rties, including chloride binding, and Bohr effect .

中文摘要过去对血红蛋白异位调节效应的研究指出，在血红蛋白四合体中央空腔的区域的静电排斥效应对分子机能的调节如氧合时氯离子的键结和波尔效应，扮演著一个很重要的角色。

The results of DLVO theoretical calculations indicate that the total acting energy between the titanaugite and ilmenite particles at pH 5.9 is negative, showing as attraction, which causes the superfine titanaugite particles attach on the surface of ilmenite. At pH 8.5, because of large electrostatic repulsion energy, the total acting energy shows as strong repulsion, thus the superfine titanaugite particles can not attach on the surface of ilmenite.

DLVO理论计算结果表明：当pH=5.9时，两种矿物颗粒间的总相互作用能为负值，表现为相互吸引，微细粒级的钛辉石会在钛铁矿表面上粘附，使钛铁矿的回收率显著降低；当pH=8.5时，由于静电排斥能大，总相互作用能仍表现为较强的排斥力，微细粒钛辉石不能粘附在钛铁矿表面。

The negative values of AGH and the positive values of△G~ suggested that the hydrophobic force favored,and the electrostatic force unfavored the bacterial adsorption on kaolinite and montmorillonite.

发现疏水自由能为负，显示疏水作用为引力，有利于细菌与粘粒矿物的吸附；而静电力自由能为正，表明细菌-矿物间存在静电斥力。

And it comes to a conclusion that electrets can be made not only into a kind of material providing homogeneous electric fields but also into a kind of ventilative electrostatic shielding material.

利用驻极体具有的可任意切割、拼装、黏接的特性，从静电学的基本规律及由泊松方程构成的静电边值问题出发，对驻极体既可对外提供电场又可设计为屏蔽电场的 2个相异思维的研究结果展开了讨论，从而，从理论上指出驻极体既可以制成提供均匀外场的材料又可以制成一种透气性静电屏蔽材料。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。