查询词典 binding energy

Combining the performance evaluation (activity, selectivity and stability) and the characterization of the catalysts (XRD, TPD, FTIR and the pore structure measure), it can be concluded that :(1)The activity of modified β is higher than MCM-22, but the selectivity of ethylbenzene is lower about 3% than that of MCM-22;(2)The mounts of diethylbenzene and the other by-products are higher 1.7 times and 1.5 times than these of MCM-22 respectively;(3)The catalytic performance of zeolite mixture is nearly equal to modified β, but the selectivity of ethylbenzene is higher about 0.5% than that of modified β;(4)The catalytic activity of zeolite is mainly correlated with the number of acid sites, strength and distribution, and the distribution of products is determined by the binding energy of ethylbenzene and the pore structure, while the stability of catalyst is affected by the amount of poly-ring aromatic alkylate and the pore structure.

以性能评价和特性表征（XRD、TPD、FTIR和孔结构测定）相结合的方式，对上述三种催化剂性能比较的结果表明：（1）改性的活性明显高于MCM-22，但乙苯选择性却低于MCM-22绝对差约3%；（2）改性(上二乙苯和其他副产物的生成量分别约为MCM-22上对应值的1.7和1.5倍左右；（3）混合型催化剂的性能与改性相仿，但乙苯选择性提高0.5%左右；（4）对乙苯合成，沸石催化剂的活性主要取决于其B酸中心数、酸强度及酸分布，产物分布则取决于催化剂表面的乙苯脱附能垒值和孔道结构，而稠环芳烃的生成量和催化剂孔道结构是影响催化剂稳定性的主要因素。

Except for this, the others such as ionic bridge (e. g. Me〓, I〓), appositional replacement and destroying the binding site etc. is involved in also. 5. The type of BSA intrinsic fluorescence being quenched is mainly static quenching, and the nonradiative energy transfer is attributed to BSA intrinsic fluorescence being quenched also.

各种类型的外加剂对中药小分子-蛋白质作用过程的影响方式各不相同，与BSA结合引致BSA分子构象改变是外加剂参与并影响中药小分子-BSA相互作用过程的共通机制；除此共通机制外，还可能存在离子架桥、同位取代以及对BSA分子上药物结合部位的破坏等作用形式。

In Chapter 3, we review the developments and applications of the approaches for predicting binding free energy.

结合自由能准确地表征了配体和受体的结合活性，因此是药物化学中最重要的概念之一。

The dependence of the binding energy on the size of the quantum dot is also discussed.

讨论了激子结合能与量子点尺寸和空穴质量的关系。

The effects of hydrogen on the resistivity and the electron binding energy were studied.

研究了氢对块体非晶合金电子结合能和电阻率的影响。

Table 1 lists the major chemical elements of the binding energy.

表1列出了主要的化学分子的结合能。

Analysis of binding site number and energy score distribution will be two kinds of novel and useful instruments.

对吸附位点数和能量打分分布情况的分析，将会成为在固定化配基与受体蛋白质间相互作用研究中的两种重要的全新手段。

The relationship of the size of titanium clusters with electron affinities and that with binding energy have been studied.

本文研究了钦团簇的电子亲合能、结合能与团簇尺寸的变化关系。

Binding free energy calculation is another focus of the study on protein-protein interactions and recognition.

在蛋白质相互作用和识别研究中，结合自由能的计算一直是一个研究热点。

Therefore, the aim of docking is to find the conformation with the lowest binding free energy.

分子对接包含两个方面，一是快速有效的搜索算法，可以在可能的空间进行构象搜索；另一个是好的打分函数，能够在合理的时间内正确有效地从搜索到的结构中区分出近天然构象。

You can snipe the second and third union leaders from this position.

您可以鹬第二和第三工会领袖从这一立场出发。

Aiming at the currently shortage of XML streams quality detecting, this paper proposes a new forecasting method of XML streams quality by least squares support vector machines, which is used the method of XML keys' vector matrix as windows, and vector product wavelet transform to multilevel decompose and refactor the XML streams series, that can fulfill real-time checking demand of XML quality, and ensure constraint, consist- ency and integrality. For even more adapting net load, it proposes a control strategy by weight and adaptive adjustment to ensure XML streams quality.

针对当前XML数据流质量检测存在的不足，提出构建XML键的矢量矩阵作为窗口，利用矢量积小波变换多级分解与重构XML数据流，再结合最小二乘支持向量机对XML数据流质量进行预测的一种方法，满足XML数据流质量重构时实时检测的要求，保证XML数据的约束性、一致性与完整性；为了更好的适应网络负载，采取加权与自适应窗口调整等调度策略充分保证XML数据流的质量检测。