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991.
The ratio of the responses of two different specific detectors to a single compound has, when used in conjunction with the compound's retention index, been investigated as an identification criterion for the compound. The ECD:NPD and ECD:FPD response ratios have been used for the identification of some pesticides. Analyses were performed with a single column – dual parallel detection – personal computer system. The reliability of the detector response ratio (DRR) was demonstrated by the consistency of detector response with time, and the influence of the quantity of analyte and of the chromatographic operating conditions. These factors were selected in the expectation that the technique could be used for routine trace analysis. 相似文献
992.
采用快速动态法制备了具有MFI结构的硅铁沸石分子筛,研究了该分子筛上乙苯脱氢反应的瞬变行为.结合表面吸附态的红外、顺磁结果发现,苯乙烯通过化学活性吸附的乙苯脱氢形成.通过这个模型可满意地解释瞬态曲线和稳态下的动力学行为. 相似文献
993.
Saturation of extrinsic photoconductivity in GaP:N(Zn, Te) diodes could be achieved by excitation with a TEA-CO2-laser. At wavelengths in the 10 m range intensities of several 100 kW/cm2 being near the damage threshold were applied. Carrier lifetimes of 60 ps at 4.2 K and 200 ps at 77 K could be estimated. The only conceivable mechanism explaining these short time constants is the capture of infrared excited holes by ionized shallow acceptors in the highly compensated p-side of the diode. 相似文献
994.
995.
Qing Long JIANG Xiang Kai FU Zhu Jun CHEN Research Institute of Applied Chemistry College of Chemistry Chemical Engineering Southwest University Chongqing Key Laboratory of Applied Chemistry of Chongqing Municipality Chongqing Key Laboratory of Eco-environments in Three Gorges Reservoir Region 《中国化学快报》2006,(11)
A new compound 1-ethyl-1'-(4-vinylbenzyl)-4, 4'-bipyridinium chloride and iodide has been synthesized. The cyclic voltammogram and impedance spectra indicated that a layer of viologen's electrochromic (EC) film could be deposited on conductive ITO glass working electrode. With polyelectrolyte as ionic conduction layer, solid EC devices based on this compound have been assembled and their thickness was about 2.35 mm. When different voltages were added, they showed blue or violet red color. After optimization, its response time was less than 50 ms, the number of redox circulation was over 107 and the color of coloration states could be kept for 3 days. This kind of EC device can meet the demand of electronic ink. 相似文献
996.
997.
胰蛋白酶和苯酰氨类抑制剂结合自由能的预测 总被引:1,自引:0,他引:1
用基于线性响应近似的自由能预测方法计算胰蛋白酶和苯酰氨类抑制剂的结合 自由能。计算结果表明,单参数,双参数和三参数模型具有相似的线性回归系数, 但三参数和双参数模型的交互验证回归系数要明显优于单参数模型。从预测能力来 看,双参数模型和三参数模型都能够很好地预测测试集中抑制剂的结合自由能,其 中双参数模型预测的结果要略优于三参数模型的预测结果。对测试集中的抑制剂, 双参数模型预测得到的预测自由能和实际自由能之间平均绝对误差仅为1.15 kJ/mol。自由能计算模型以及分子动力学轨迹能很好地解释抑制剂结构和活性的 关系,为药物设计提供了重要的结构信息。 相似文献
998.
Vibrational energy relaxation of a diatomic solute in a liquid solvent is investigated by means of the generalized Langevin equation. The vibrational energy, velocity and capacity time correlation functions (TCFs) are considered. It is shown that the detailed structure of the energy TCF contains an initial fast (subpicosecond) decay segment that is followed by weak oscillations on the background of an exponential relaxation curve. The direct method for evaluating the relaxation rate constant from equilibrium molecular dynamics simulations of a flexible solute is proposed and implemented. The closed form expressions for the memory function and for the relaxation rate constant in terms of quantities accessible from the simulations are derived. The simulation results for rigid and flexible solutes are compared and analyzed. 相似文献
999.
S. Chiodo G. N. Chuev S. E. Erofeeva M. V. Fedorov N. Russo E. Sicilia 《International journal of quantum chemistry》2007,107(2):265-274
The solvent response on the solute is calculated by the reference interaction site model (RISM) and by the polarizable continuum model (PCM) methods. The linearized RISM technique is developed to treat free energies of atomic and polyatomic ions in water. An empirical repulsive bridge is used for the RISM calculations. The solvent electrostatic potential is approximated by a linear dependence on the solute atomic charges. For a series of monovalent polyatomic cations and anions, the method provides free energies deviating by few percent from the experimental data. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
1000.
Summary A gas chromatographic method is described for the analysis of 1,4-naphthoquinone derivatives in the mixtures of their isomers. The best results were obtained using 7.5% XE-60 on Chromosorb G at 180°. Quantitative determination was carried out with 1,4-naphthoquinone as the internal standard and using relative response factors or by means of the direct calibration method. 相似文献