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利用分子轨道理论对MIM隧道结负阻特性的讨论
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作者 周立新 缪江平 +2 位作者 陈维 吴宗汉 孙承休 《应用科学学报》 CAS CSCD 2002年第3期296-300,共5页
首次从轨道杂化的角度探讨了 MIM隧道结负阻特性的成因 ,结合化学上的计算 ,并与实际测量结果进行对比分析 ,提出了
关键词 分子轨道理论 MIM隧道结 阻特性 轨道 表面等离极化激元 隧道电流 阻机理
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NH_3BH_3的双接触蓝移双氢键的理论研究
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作者 徐利芳 黎安勇 +1 位作者 罗洪娟 纪宏波 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2009年第9期1865-1869,共5页
运用量子化学从头算方法研究了NH3BH3与含大的分子内超共轭的质子给体CHF3,H2CO,HCOOH,HCOCl和HNO形成的双接触弯曲双氢键B—H2…H—X(X=C,N)的分子结构、电子密度拓扑性质与频率位移特征.计算结果表明,在所有体系中,由于双氢键的形成,B... 运用量子化学从头算方法研究了NH3BH3与含大的分子内超共轭的质子给体CHF3,H2CO,HCOOH,HCOCl和HNO形成的双接触弯曲双氢键B—H2…H—X(X=C,N)的分子结构、电子密度拓扑性质与频率位移特征.计算结果表明,在所有体系中,由于双氢键的形成,B—H键拉长且伸缩振动频率红移,而X—H键长减小且伸缩频率蓝移.弯曲的双接触构型导致分子间超共轭减小、X—H键的大的正重极化与正重杂化以及分子内超共轭减小三个因素导致了X—H键蓝移;B—H键红移的主要原因是B—H键的负的重极化与负的重杂化. 展开更多
关键词 B-H2…H-X 双接触双氢键 蓝移 负的重极化与负的重杂化
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Multi-agent System Optimized Reconfiguration of Shipboard Power System 被引量:3
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作者 兰海 肖云云 张利军 《Journal of Marine Science and Application》 2010年第3期334-339,共6页
Reconfigurability of the electrical network in a shipboard power system (SPS) after its failure is central to the restoration of power supply and improves survivability of an SPS. The navigational process creates a ... Reconfigurability of the electrical network in a shipboard power system (SPS) after its failure is central to the restoration of power supply and improves survivability of an SPS. The navigational process creates a sequence of different operating conditions. The priority of some loads differs in changing operating conditions. After analyzing characteristics of typical SPS, a model was developed used a grade III switchboard and an environmental prioritizing agent (EPA) algorithm. This algorithm was chosen as it is logically and physically decentralized as well as multi-agent oriented. The EPA algorithm was used to decide on the dynamic load priority, then it selected the means to best meet the maximum power supply load. The simulation results showed that higher priority loads were the first to be restored. The system satisfied all necessary constraints, demonstrating the effectiveness and validity of the proposed method. 展开更多
关键词 shipboard power system multi-agent system network reconfiguration environment priority agent algorithm
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Ni-loaded Catalyst Containing Activated Clay for Maleic Anhydride Hydrogenation to Succinic Anhydride 被引量:3
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作者 Tian Weiping Guo Shaofei Shi Li (The State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237) 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第4期35-40,共6页
In this work, the hydrogenation of maleic anhydride to succinic anhydride in the presence of 5 m%Ni/clay catalysts was investigated. These catalysts were characterized by X-ray diffraction (XRD), H2 temperature prog... In this work, the hydrogenation of maleic anhydride to succinic anhydride in the presence of 5 m%Ni/clay catalysts was investigated. These catalysts were characterized by X-ray diffraction (XRD), H2 temperature programmed reduction (TPR) and thermogravimetric analysis (TGA) techniques. The XRD and TPR studies showed that Ni was present as Ni2+ on the support, which indicated that there were no elemental nickel (Ni^0) and Ni203 species in the unreduced samples. Increasing of calcination temperature to 650 ℃ leads to destruction of the support structure observed in TGA, while the catalyst sample calcined at 550 ℃ exhibits better performances than other samples. The ideal conversion of maleic anhydride (97.14%) and selectivity of succinic anhydride (99.55%) were realized at a reaction temperature of 180 ℃ and a weight hourly space velocity of 4 h^-1 under a reaction pressure of 1 MPa. 展开更多
关键词 maleic anhydride HYDROGENATION succinic anhydride NICKEL
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