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应用分子力学、分子图形学以及量子化学方法研究有机试剂结构及作用机理(Ⅱ)——吡啶偶氮试剂与金属离子螯合的GP理论
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作者 赖城明 牛树强 +1 位作者 张东瑞 林少凡 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 1993年第5期634-637,共4页
本文首先应用MMX分子力学方法讨论了一系列吡啶偶氮试剂的构象特征;用MINDO/3方法计算了各分子的基态性质;应用广义微扰理论研究了试剂分子与金属离子的螯合机制,指出此二者相互作用可为电荷或轨道控制反应,因而呈现出不同的配位位置。... 本文首先应用MMX分子力学方法讨论了一系列吡啶偶氮试剂的构象特征;用MINDO/3方法计算了各分子的基态性质;应用广义微扰理论研究了试剂分子与金属离子的螯合机制,指出此二者相互作用可为电荷或轨道控制反应,因而呈现出不同的配位位置。还讨论了轨道电负性、微扰作用及形成多元络合物的意义。从分子静电势图进一步印证了所述结论的合理性。 展开更多
关键词 有机试剂 作用机理 gp理论
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对GPS理论原则及求解机制的重新假设(GPS/P)
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作者 范仲春 《微电子学与计算机》 CSCD 北大核心 1998年第1期32-35,共4页
本文从分析人工智能中问题求解的心理过程着手.对通用问题求解(GPS)的理论原则进行了重新假设(GPS/P),提出了基于上述假设的通用问题的求解模型,阐述了GPS/P的求解机制。
关键词 人工智能 问题求解 操作 gpS理论原则 求解机制
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Slip Rates of the Major Faults on the Mid-southern Section of the North-South Seismic Belt Calculated from the Block Theory
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作者 Yan Wei Wu Yanqiang +3 位作者 Niu Anfu Li Xiaofan Zhang Lingkong Ji Ping 《Earthquake Research in China》 2014年第1期62-72,共11页
In this paper, using the 1999 ~ 2007 GPS velocity field data, and by choosing the optimal block model, we obtained the deformation models applicable to the boundary zones of major blocks and the slip rates of block bo... In this paper, using the 1999 ~ 2007 GPS velocity field data, and by choosing the optimal block model, we obtained the deformation models applicable to the boundary zones of major blocks and the slip rates of block boundary faults on the mid-southern segment of the North-South Seismic Belt. The results show that: on the Longmenshan fault zone, the tensional and compressive slip rate is small on the Baoxing-Wenchuan segment, about 0. 5 ~ 1.8mm·a^-1, and the rate is relatively significant on the segment of the Wenchuan--Maoxian, as 1.8 ~3.8mm·a^-1; on the Xianshuihe fault belt, there is a certain difference in spatial distribution between the tensional slip rag.e and strike-slip rate: the tensional slip rate ( 8. lmm^a-1) is bigger than the sinistral strike-slip rate ( 4.8mm·a^-1) at the north of the Luhuo region; the tension and compression slip rate is basically the same as the strike-slip rate at Luhuo-Dawu; the Dawu-Kangding section presents a trend of decreased strike-slip rate and increased tensional slip rate; the Kangding-ghimian segment shows a strike-slip nature; the strike-slip rate is significantly greater than the tension/compression rate on the Xiaojiang fault zone; the slip rate on the Red River fault zone shows obvious spatial segmentation, the slip rate is smaller in its northwest part, but with a certain amount of tensional/compression component, 4. 7mm·a^-1 on the Jingdong segment. The segment east of Jingdong ( western Gejiu) is mainly of strike-slip, with a slip rate of 4. 5mm·a^-1. 展开更多
关键词 Block model Slip rate North-South Seismic Belt Model applicabilityevaluation
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