CF3CH2CH3+OH的反应机理及动力学性质的理论研究

采用密度泛函理论BB1K/6-31+G(d,p)计算了反应CF₃CH₂CH₃+OH各反应通道上驻点的稳定结构和振动频率, 并分别在BMC-CCSD, MC-QCISD和G3(MP2)水平上进行了单点能校正. 运用变分过渡态理论, 在BMC-CCSD//BB1K, MC-QCISD//BB1K, G3(MP2)//BB1K以及BB1K水平上计算了各反应通道的速率常数, 讨论了-CH₂和-CH₃基团上H提取通道对总反应的贡献, 并与已有实验和理论结果进行了对比. 计算结果表明, BMC-CCSD水平上的速率常数与实验测量值符合得很好, 进而给出了该水平上反应在200~1000 K温度范围内速率常数k(cm³?molecule^-1?s^-1)的三参数表达式: k=1.90×10^-21T^3.21exp(-292.62/T).     

梯度洗脱色谱法同时测定康糖片中盐酸小檗碱、黄芩苷、格列本脲的含量

康糖片是治疗糖尿病的中西药复方制剂,主要由盐酸小檗碱、黄芩苷、格列本脲等组成。其中的单组分含量测定方法报道较多,如盐酸小檗碱有分光光度法、薄层色谱法、高效液相色谱法等;黄芩苷有比色法、薄层色谱法;格列本脲有高效液相色谱法。但同时测定上述3种组分的方法未见报道。本文报道了同时测定上述3种组     

Correlation between Displacement Damage Dose and Proton Irradiation Effects on GaInP/GaAs/Ge Space Solar Cells

The irradiation effects of 0.28-2.80 MeV protons on GalnP/GaAs/Ge solar cells have been analysed, and then correlated with the displacement damage dose. The results of I-V and spectral response measurements, combined with the SRIM-derived vacancies produced rates, show that the degradation of the solar cells is largely determined by the displacement damage of the GaAs sub-cell. Thus the SRIM-derived NIEL values for protons in the GaAs sub-cell are used to calculate the displacement damage dose. It is shown that the irradiation effects of the solar cells caused by protons at different energies are correlated well with the aid of displacement damage dose.     

表面增强拉曼光谱研究高分子－金属界面结构

表面增强拉曼散射（ＳＥＲＳ）是近十几年来迅速发展起来的一种有力的表界面分析手段。本文简要地介绍了作者对激光拉曼制样技术的改进，以及ＳＥＲＳ在金属表面的聚合反应，聚合物在金属表面的取向，高聚物－金属表界面微观结构等研究中的应用。