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91.
92.
采用三维全息原子场作用矢量(3D-HoVAIF)对115个酰肼类抗结核病药物进行定量构效关系(QSAR)研究.运用多元线性回归(MLR)和偏最小二乘回归(PLS)建模,同时采用内部及外部双重验证的办法对所得模型稳定性能进行了深入分析和检验.MLR建模和PLS建模的复相关系数(R2cum)、留一法交互校验复相关系数(Q2LOO)以及外部样本校验复相关系数(Q2ext)分别为0.766、0.663、0.748和0.733、0.614、0.715.结果表明,3D-HoVAIF能较好表征抗结核药物分子结构信息,所建QSAR模型具有良好稳定性和预测能力,为抗结核病药物的研发提供一定的理论基础. 相似文献
93.
ZHENG Li-Rong CHE Rong-Zheng LIU Jing DU Yong-Hua ZHOU Ying-Li HU Tian-Dou 《中国物理C(英文版)》2009,33(8):701-705
X-ray absorption fine structure (XAFS) spectroscopy is a powerful technique for the investigation of the local environment around selected atoms in condensed matter. XAFS under pressure is an important method for the synchrotron source. We design a cell for a high pressure XAFS experiment. Sintered boron carbide is used as the anvils of this high pressure cell in order to obtain a full XAFS spectrum free from diffraction peaks. In addition, a hydraulic pump was adopted to make in-suit pressure modulation. High quality XAFS spectra of ZrH2 under high pressure (up to 13 Gpa) were obtained by this cell. 相似文献
94.
采用轨道受限运动方法研究了极区夏季中层顶区域的尘埃粒子电荷数与尘埃粒子半径。利用尘埃等离子体充电理论,建立了尘埃粒子充电方程模型,得到尘埃粒子充电时尘埃电荷数和半径的比值。然后结合ECT02实验数据,分析了发生极区中层夏季回波现象时极区中层顶区域尘埃粒子电荷数和半径的比值,并得到尘埃粒子的半径以及尘埃粒子所带电荷量。结果表明,极区中层顶区域的尘埃粒子平均所带电荷不到一个,它的半径约为20nm。 相似文献
95.
碳纤维增强铜基复合材料自润滑轴承的设计准则 总被引:1,自引:0,他引:1
根据均匀设计原理,对碳纤维增强铜基复合材料的磨损试验参数予以科学排列,不仅减少了试验次数,而且提高了试验数据统计结果的可靠性,同时,引入可靠性技术,建立了自润滑轴承在不同临界磨损率下材料的可靠度-压强-速度曲线及其计算方法,为碳纤维增强铜基复合材料自润滑轴承的设计提供依据。 相似文献
96.
多媒体化学教科书系统《化学元素周期系》 总被引:1,自引:0,他引:1
戴安邦老师离开我们已经一年了 ,给我们留下了无限的哀思。戴老师在生前最重视基础课教学 ,他领衔四教授专著的教科书《无机化学教程》 ,为我国化学教育和无机化学的发展奠定了先期基础。他老人家长期担任基础课教学 ,重视课堂直观教学效果 ,重视有效教学辅助手段上课堂 ,教学效果优异 ,永远垂范后人 ,我们无限怀念他老人家。际此新的一轮教学改革高潮的来临 ,我们把戴老师留传给我们的丰富辅助教学手段集中表达在多媒体投影屏幕上 ,藉此增强教学效果 ,作为我们纪念戴老师丰功伟业的实际行动 ,把他遗留下来的教学经验永远延续推广。我们南开大学无机化学学科的部分师生 ,从 1 996年开始学习多媒体计算机技术 ,并萌发了创新思想 ,用三年时间 ,完成了一套多媒体化学教科书软件《化学元素周期系》 ,两张光盘 ,已由高等教育出版社出版。并获得教育部第二届全国高校优秀教学软件一等奖。教育部高教司在 1 999年 8月组织专家进行鉴定验收 ,鉴定结论是 :“《化学元素周期系》教科书软件的成果 ,是我国化学教学手段和教学方法的一项重大改革成就 ,属国内领先 ,达到了国际先进水平”。现将该项教学研究成果汇总成文 ,借以纪念我们尊敬的戴安邦老师 相似文献
97.
CHE Chi-Ming 《高等学校化学学报》2000,21(Z1):3
Transition metal complex, in its electronic excited state, has intriguing photophysical and photochemical properties that are substantially different from its ground state, Indeed, electronically excited metal complex can be viewed as hot chemical species that is readily synthesized by photo-excitation with UV-visible light. If the energy of excited metal complex can be properly manipulated, it may be possible to devise new catalytic system for converting light to chemical energy. In the context of energy conversion reactions and chemical sensing, it is important for biomolecular reactions at room temperature. Among the photochemical bimolecular reactions, the following three have the widest applications in photocatalysis, and these are (1) bimolecular outer-sphere electron transfer reactions, (2) bimoleculat inner-sphere atom transfer/abstract reactions, and (3) exciplex formation involving electronic excited state. The past of inorganic photochemistry has demonstrated the success of[Ru(bpy)3]2+ as a powerful reagent for light-induced electron transfer reactions. Much of the current photochemistry research focus on coordinative unsaturated metal complexes, that are strongly photoluminescent and readily undergo substrate binding reactions in their excited states. In this lecture, I will review some of the past successful stories of[Ru(bpy)3]2+ and discuss our current research on the luminescent metal-complexes prepared in my laboratory. I will end my lecture by proposing a clue for achieving light-induced multi-electron transfer reactions, which remains a challenge in photochemistry research. 相似文献
98.
99.
CHEN Yong-Jing ZHU Sheng-Jiang CHE Xin-Lai DING Huai-Bo LI Ming-Liang 《中国物理C(英文版)》2006,30(8):740-744
High-spin structures in 146Ce nucleus have been re-investigated by measuring the prompt γ rays from spontaneous fission of 252Cf. The previously reported level scheme of 146Ce has been updated. The octupole deformed collective bands have been extended up to higher spin states. A possible quasi-γ band structure was examined and reconstructed according to our data analysis. In addition, the reflection asymmetric shell model was applied to describe the octupole deformed bands in 146Ce, and the calculated results are in good agreement with the experimental data at lower spins. 相似文献
100.
ZHU Sheng-Jiang XIAO Shu-Dong CHE Xing-Lai YU Ying-Nan LI Ming-Liang CHEN Yong-Jing ZHU Li-Hua WEN Shu-Xian WU Xiao-Guang LI Guang-Sheng 《中国物理C(英文版)》2005,29(11):1047-1051
Using heavy-ion nuclear reaction and in-beam γ-ray spectroscopy technique,high spin states of 136La have been studied. The nuclear reaction used is 130Te(11B,5n) with a beam energy 60MeV. The level scheme with three collective band structures has been updated with spin up to 20h. The collective backbending has been observed in $\uppi h_{11/2}\otimes \upnu h_{11/2}$ band. According to the TRS calculations,this backbending is due to the alignment of a pair of h11/2 neutrons. The signature splitting and inversion for the $\uppi h_{11/2}\otimes \upnu h_{11/2}$ band were also discussed. Other two bands based on $12^-$ and $16^+$ levels were proposed as oblate deformation with $\gamma\approx -60^\circ$. They most probably originate from four- and six- quasiparticle configurations, that is,$\uppi h_{11/2}\otimes\upnu g_{7/2} h_{11/2}^2$ and $\uppi g_{7/2}\otimes\upnu g_{7/2}^2 d_{5/2}h_{11/2}^2$ respectively. 相似文献