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4种菁染料化合物结构和性能的密度泛函理论研究 被引量:6
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作者 尚兴宏 贡雪东 +1 位作者 肖鹤鸣 田禾 《南京理工大学学报》 EI CAS CSCD 北大核心 2002年第2期186-191,共6页
运用量子化学的密度泛函方法 ,在B3LYP/ 6 - 31G水平下全优化计算了近期合成的正离子型菁染料与相应中性化合物的分子几何构型和电子结构 ,由前线分子轨道理论提供了反应的活性原子和活性键。此外 ,还通过ZINDO/S计算得到了它们的紫外... 运用量子化学的密度泛函方法 ,在B3LYP/ 6 - 31G水平下全优化计算了近期合成的正离子型菁染料与相应中性化合物的分子几何构型和电子结构 ,由前线分子轨道理论提供了反应的活性原子和活性键。此外 ,还通过ZINDO/S计算得到了它们的紫外光谱。联系实验事实和有机电子结构理论对计算结果进行了讨论。 4种标题物的紫外光谱λmax 的计算值、实测值以及前线轨道能级差值 (ΔE)三者之间呈现一致的大小排序。 展开更多
关键词 菁染料 密度泛函理论 前线轨道理论 分子几何构型 电子结构 紫外光谱 全优化计算
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An extended particle swarm optimization algorithm based on coarse-grained and fine-grained criteria and its application 被引量:2
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作者 李星梅 张立辉 +1 位作者 乞建勋 张素芳 《Journal of Central South University of Technology》 EI 2008年第1期141-146,共6页
In order to study the problem that particle swarm optimization (PSO) algorithm can easily trap into local mechanism when analyzing the high dimensional complex optimization problems, the optimization calculation using... In order to study the problem that particle swarm optimization (PSO) algorithm can easily trap into local mechanism when analyzing the high dimensional complex optimization problems, the optimization calculation using the information in the iterative process of more particles was analyzed and the optimal system of particle swarm algorithm was improved. The extended particle swarm optimization algorithm (EPSO) was proposed. The coarse-grained and fine-grained criteria that can control the selection were given to ensure the convergence of the algorithm. The two criteria considered the parameter selection mechanism under the situation of random probability. By adopting MATLAB7.1, the extended particle swarm optimization algorithm was demonstrated in the resource leveling of power project scheduling. EPSO was compared with genetic algorithm (GA) and common PSO, the result indicates that the variance of the objective function of resource leveling is decreased by 7.9%, 18.2%, respectively, certifying the effectiveness and stronger global convergence ability of the EPSO. 展开更多
关键词 particle swarm extended particle swarm optimization algorithm resource leveling
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Gravitational search algorithm for coordinated design of PSS and TCSC as damping controller 被引量:2
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作者 M.Eslami H.Shareef +1 位作者 A.Mohamed M.Khajehzadeh 《Journal of Central South University》 SCIE EI CAS 2012年第4期923-932,共10页
A newly developed heuristic global optimization algorithm, called gravitational search algorithm (GSA), was introduced and applied for simultaneously coordinated designing of power system stabilizer (PSS) and thyr... A newly developed heuristic global optimization algorithm, called gravitational search algorithm (GSA), was introduced and applied for simultaneously coordinated designing of power system stabilizer (PSS) and thyristor controlled series capacitor (TCSC) as a damping controller in the multi-machine power system. The coordinated design problem of PSS and TCSC controllers over a wide range of loading conditions is formulated as a multi-objective optimization problem which is the aggregation of two objectives related to damping ratio and damping factor. By minimizing the objective function with oscillation, the characteristics between areas are contained and hence the interactions among the PSS and TCSC controller under transient conditions are modified. For evaluation of effectiveness and robustness of proposed controllers, the performance was tested on a weakly connected power system subjected to different disturbances, loading conditions and system parameter variations. The cigenvalues analysis and nonlinear simulation results demonstrate the high performance of proposed controllers which is able to provide efficient damping of low frequency oscillations. 展开更多
关键词 gravitational search algorithm power system stabilizer thyristor controlled series capacitor tuning
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