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MNDO method and GAMESS90 programs have been employed respectively to investigate limited reaction pathways and to optimize structure of transition states for the keto-enol tautomerism. 采用MNDO方法和GAMESS90程序,对酮-烯醇互变异构进行了研究,得到了互变异构的极小能量反应途径及其过渡态的几何构型。
In the optimized structure, the electron distribution at the exit hole of the chunnel is more uniform and the electron beam is rather slim. 在该结构中，电子在通道出口处的分布更加均匀，电子束的束径较小。
The algorithm was also applied to Lennard-Jones (LJ) clusters, and optimal structure up to LJ80 was reproduced. AIOA还被成功应用于Lennard-Jones(LJ)团簇的结构优化，优化得到了LJ80以下的最优结构。
The reserve force and militia are maintained at an appropriate scale, with an optimized structure and an enhanced level of training. 预备役部队和民兵保持适度规模，优化结构，提高训练水平。
The design ideas such as modelling, modularity, reliability and optimal structure design of load switch are introduced. 摘要介绍了负荷开关的造型、模块化、可靠性和结构优化设计等设计理念。
An optimized structure of FPGA realization for digital matched filters(DMF) is presented. 摘要针对数字匹配滤波器(DMF)的FPGA实现提出一种优化结构。
Introducing the optimal structure mode of The twostep pressure valve,its veracity and its stability are best of all. 介绍了新型先导压力阀的结构特点,该阀准确性和稳定性好。
This paper performs simulation on the optimized structure of a heavy oil burning anode baking furnace. 对以重油作为燃料的阳极焙烧炉的火道结构进行了优化模拟计算。
The reserve force and militia are maintained at an appropriate scale,with an optimized structure and an enhanced level of training. 预备役部队和民兵保持适度规模，优化结构，提高训练水平。
In the present work, the CASSCF method was employed to optimize structures of thiocamphor in the lowest five electronic states (S0, T1, S1, T2, and S2), which was followed by single-point energy calcu- lations at the MR-CI level. 运用量子化学方法优化了硫代樟脑的最低5个电子态(S0;T1;S1;T2和S2)的结构;并计算了它们的相对能量.
The principle of a rational distribution , an optimized structure and a priority order should be followed in capital construction. 基本建设要遵循布局合理，优化结构，重点突出的原则。
This paper uses BAM to solve the abnormal sound of exhaust muffler of car,and gives a optimized structure solution,solves the problem of pupu" sound. 利用辅助消声器对汽车消声器的异响"噗噗声"进行试验分析,并对原消声器提出结构优化解决方案,解决了"噗噗声"问题,同时排气管口的噪声水平也得到了降低。
The simulation results indicate that the optimized structure parameters will reduce the vehicle shimmy amplitude obviously. 结果表明，通过优化对抑制摆振取得了较好的效果。
Meanwhile in order to integrate DDC as ASIC, the paper not only focuses on realizing performance but on optimizing structure as well. 为了便于ASIC实现，在设计模块时除了考虑功能实现还尽可能做到结构简化。
Mechanic analyses show that the optimized structure of the reflector is much lighter and stronger than the original design. 力学分析表明，经过优化后的反射镜结构相比于原设计方案轻量化程度更高，静力学性能更好。
The optimal structure design of steam jet heat exchanger is studied with one-dimensional isobaric mixed process and gas dynamics theory. 应用气体动力学理论,参照一维等压混合分析方法,对射水式喷射加热器结构设计进行了研究,列出各主要结构尺寸的计算式。
Clearly, however, questions regarding the optimal structure remain to be answered independent Board members and management are perhaps not the panacea they seemed. 显然,怎样才是最理想的董事局结构这个问题仍然没有明确答案独立的董事局成员及管理层也许并不是解决问题的灵丹妙药。
The code scheme of network structure,and the corresponding genetic operators are designed. As a result,the algorithm converges on the overall optimal structure. 针对这种分类器的结构学习,设计了结合对数似然的适应度函数及相应的遗传算子,并给出了网络结构的编码方案,使得该算法能够收敛到全局最优的结构。
Optimized structure , atomic net charge , adsorption energy and frontier orbital energy of C 3H 6/ C 3H 8 and AgCl / CuCl are calculated by ZINDO/1 and ab initio/STO-6G*. 用ZINDO/ 1和abinitio/STO -6G 方法 ,对C3H6 、C3H8与AgCl、CuCl间的吸附态优化构型、原子净电荷、吸附能、前沿轨道能量作了计算。
The two halves of the structure didn't marry up. 该结构的两部分未配合好。