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Shanghai 201208, ChinaAbstract : Frameworks of Na n ZSM-5 type zeolites with various Si/Al ratios have been constructed and optimized with molecular dynamic quench simulation. The results show that the structure parameters of Na n ZSM-5 type zeolite, including the bond length and atomic charges, are consistent with those predicted by ab initio cluster calculations.

利用分子动力学quench方法对所搭建的具有不同硅铝比的NanZSM-5型分子筛进行了优化，结果表明其键长、原子电荷等结构参数与 ab initio 计算法得到的结果相吻合。

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。

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。

This new research has advanced atomizer design and optimized atomization and spray processes.

这新研究前进喷雾器设计并且乐观atomization 和水雾过程。

Spray deposition process can be optimized by studying the scanning regularity of atomizer and other process parameters.

通过对雾化器往复扫描规律以及其它工艺参数的研究，可以对喷射沉积过程进行工艺优化。

The optimized device process of p-n Alo.85Gao.15As/GaAs solar cells have been investigated. AuBe/Au and AuGeNi/Au were evaporated and metallized to form ohmic contacts of front grids and back electrodes, respectively. Heavily-doped GaAs cap layers were removed by the NH4OH:H202:H3P04:H20 selective etching solution.

分别采用真空蒸发AuBe/Au和AuGeNi/Au并合金化形成欧姆接触制作太阳电池正面栅线和背面电极；采用NH_4OH：H_2O_2：H_3PO_4：H_2O体系的选择性腐蚀液去除高掺杂的GaAs接触层；采用真空蒸发技术制备ZnS/MgF_2双层复合减反射膜。

The stability analysis of reversed austenite shows that the optimized stability can not be observed under the conditions provided in this work.

对稳定性的分析显示，在本文的工艺条件下，回转奥氏体的稳定性均未达到最佳。

The changing temperature autolysis of spent brewer's yeast was researched,and the autolysis conditions were optimized as well.

研究了啤酒废酵母的变温自溶，并优化了变温自溶的条件。

We firstly summarize the NN system modeling methods and the popular optimization algorithms, and point out the deficiencies, the limitation of noise cancellation modeling and the need of human intelligence participation, in our former optimization work after analysis. An abstract problem is extracted. It is to find out control variant that makes system output optimized using the data comprising a sample set with N x samples and their corresponding y, and it does not explore given system and achieves full automatic computation procedure. Next we propose a multi-variant controlled system optimization method utilizing CASSANDRA-I small type neural computer and program its application software. Moreover systematic experiments are made to demonstrate the method's validity, ability of noisy samples disposal and practical application.

我们总结了神经网络系统建模方法以及得到广泛采用的优化算法，并分析指出我们前阶段的优化工作中存在的去噪声建模有局限性和计算过程需人干预的不足，在此基础上把问题抽象为：已从系统获得含N个控制量样本的样本集S以及每个样本对应的系统输出，如何依据这些数据求出一个使系统输出y得到优化的控制量x，而不研究具体系统，实现不需要人智能参与自动完成的计算过程；提出应用人工神经网络硬件系统——CASSANDRA-I小型神经计算机的多变量控制系统优化方法，设计完成了其应用软件；并进行系统的实验工作，验证算法的有效性以及此方法处理带噪声样本和实际应用能力。

To establish a new technique for in vitro rapid propagation and conservation of germplasm of autotetraploid plant of Plalycodon grandiflorum, basal MS medium supplemented with different hormones was filtrated and optimized by using uniform design and orthogonal design.

为了建立优良同源四倍体桔梗的快速繁殖和离体保存技术，采用均匀设计和正交设计以添加不同激素的MS培养基为基本培养基进行筛选和优化。

You can do some assertiveness training.

你可以进行一些自信训练。

We were well on the path to making a rear-wheel-drive global platform," says Mays."

我们正致力于建立一个后轮驱动的平台，"Mays这样说道。"