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211.
提出了一种动力学李代数方法来研究取代苯体系的非线性光学性质. 对于给定的PPP模型(Pariser-Parr-Pople)哈密顿量, 生成了一个动力学李代数. 依据这些代数元构造出演化算子作为群参数的函数, 通过求解一组非线性微分方程能够得到这些群参数. 再按照统计力学中的密度算子公式给出取代苯分子体系偶极矩的统计平均值. 于是导出二阶极化率的表达式. 与其他量子力学计算结果比较, 表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用. 相似文献
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214.
Chang Xiu Han Ji Li Ren Xue Jiao Tang Bao Gui Zhang 《中国化学快报》2007,18(10):1285-1288
A new ternary Fe-based alloy catalyst FeCuP applied to decompose PH_3 was prepared with low-cost material by chemical reduction deposition method.The properties of it were characterized by XRD,ICP and SEM.Its catalytic activity on the decomposition of PH_3 and the decomposition conditions were studied.FeCuP alloy exhibits high thermal stabilities and high catalytic activity.Using it as catalyst,the decomposition temperature of phosphine decreases from over 800℃to 400-500℃.The decomposition rate of phosphine achieved 100%. 相似文献
215.
Synthesis of new tetrazene(N-N=N-N)-linked bi(1,2,4-triazole) 总被引:2,自引:0,他引:2
Sheng Hua Li Si Ping Pang Xiao Tong Li Yong Zhong Yu Xin Qi Zhao 《中国化学快报》2007,18(10):1176-1178
The reaction of 4-amino-1,2,4-triazole with sodium dichloroisocyanurate (SDCI) afforded new tetrazene(N-N=N-N)-linked bi(1.2,4-triazole) 2a in excellent yield.Increasing the molar ratio of SDCI to 4-amino-1,2,4-triazole,the chlorinated product 1,5,5′- trichloro-4,4′-azo-1,2,4-triazole (2b) was formed.These new compounds have been characterized by MS,~1H NMR,~(13)C NMR,and elemental analysis. 相似文献
216.
Hong Zheng Wei Yu Hon-bin Zhang Chi-xing Zhou 《高分子科学》2006,(1):1-11
Finite element method is used to simulate the high-speed melt spinning process,based on the equation system proposed by Doufas et al.Calculation predicts a neck-like deformation,as well as the related profiles of velocity,diameter, temperature,chain orientation,and crystallinity in the fiber spinning process.Considering combined effects on the process such as flow-induced crystallization,viscoelasticity,filament cooling,air drag,inertia,surface tension and gravity,the simulated material flow behaviors are consistent with those observed for semi-crystalline polymers under various spinning conditions.The structure change of polymer coils in the necking region described by the evolution of conformation tensor is also investigated.Based on the relaxation mechanism of macromolecules in flow field different types of morphology change of polymer chains before and in the neck are proposed,giving a complete prospect of structure evolution and crystallization of semi-crystalline polymer in the high speed fiber spinning process. 相似文献
217.
Instead of environmentally toxic chromium oxidant, singlet oxygen generated photcchemically was used as environmentally friendly and benign oxidizing agent to accomplish the transformation of pseudodiosgenin diacetate to diosone efficiently in a low toxic and less expensive solvent acetone. Accordingly 16-dehydropregnenolone acetate(16-DPA), an important intermediate for preparation of steroidal drugs, was prepared in good yield (75%) when photoreaction was run in acetone/acetic anhydride/pyridine system. The mild reaction condition as well as simple and environmentally friendly process made the method commercially viable and important for production of 16-DPA in industrial scale. 相似文献
218.
Storage-Reduction of NOx over Combined Catalysts of Pt/Ba/Al2O3-Mn/Ba/Al2O3: Carbon Monoxide as Reductant 下载免费PDF全文
Sha Deng Xuehui Li Jianhua Xiao Furong Wang Lefu Wang 《天然气化学杂志》2007,16(2):213-216
Storage-reduction of NOx by carbon monoxide was investigated over combined catalysts of Mn/Ba/Al2O3-Pt/Ba/Al2O3. Combination of Mn/Ba/Al2O3 and Pt/Ba/Al2O3 catalysts in different ways showed excellent NOx storage-reduction performance and the content of Pt could be reduced by 50%. Not only the addition of 5Mn/15Ba/Al2O3 to lPt/15Ba/Al2O3 could improve its storage ability, but also enhance the NOx conversion consequently. NOx conversion over the combined catalysts (the combined catalysts I and II) was increased under dynamic lean-rich burn conditions, the maximum NOx conversion increased from 69.4% to respectively 78.8% and 75.7% over two combined catalysts. 相似文献
219.
Addition of one equivalent of LiN(i-Pr)2 or LiN(CH2)5 to carbodiimides, RN=C=NR [R=cyclohexyl (Cy), isopropyl (i-Pr)], generated the corresponding lithium of tetrasubstituted guanidinates {Li[RNC(N R^′2)NR](THF)}2 [R=i-Pr, N R^′2=N(i-Pr)2 (1), N(CH2)5 (2); R=Cy, N R^′2=N(i-Pr)2 (3), N(CH2)5 (4)]. Treatment of ZrCl4 with freshly prepared solutions of their lithium guanidinates provided a series of bis(guanidinate) complexes of Zr with the general formula Zr[RNC(N R^′2)NR]2Cl2 [R=i-Pr, N R^′2=N(i-Pr)2 (5), N(CH2)5 (6); R=Cy, N R^′2=N(i-Pr)2 (7), N(CH2)5 (8)]. Complexes 1, 2, 5-8 were characterized by elemental analysis, IR and ^1H NMR spectra. The molecular structures of complexes 1, 7 and 8 were further determined by X-ray diffraction studies. 相似文献
220.
吴诚 《理化检验(化学分册)》2004,40(6):364-367
⑤方法的精密度 提供了由8家试验室协作对方法的精密度进行试验的结果。见表10。表10 DAPM光度法测定钛的精密度试验结果(n=8)Tab.10 ResulfofprecisiontestoftheDAPMphotometricmethodCRM的名称及编号证书值wTi(%)测定值wTi(%)重复性限R1(%)再现性限R2(%)低合金钢NBS19g0.0270.0280.00130.0043低合金钢NBS170a0.2810.2820.0090.0228铸铁NBS122d0.0070.0060.00190.0037高炉生铁NBS1144a0.3200.3300.01180.0168高合金钢NBS3440.0760.0790.00220.0065特种钢NBS11560.2100.2000.00540.0143[注1] 该方法系测定总钛量。试… 相似文献