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61.
The basic theory of symplectic algorithm was introduced. A comparison between Runge-Kutta method and symplectic integration method was preformed in the simulation of the long time behavior of H + H2 system on BKMP potential energy surface. Our results reveal a dis-sipative behavior in the integral of ordinary differential equation by the fourth order Runge-Kutta method, which causes incorrect simulation results in QCT calculations. However, when the symplectic integration method is applied, the dissipative behavior is not found in the same system. When the initial state is the same, the energy deviation of fourth order symplectic integral method is almost one percent of that of fourth order Runge-Kutta method in a 60000-step simulation, and that of sixth order symplectic integral method is much less. These results show that the symplectic integral methods are always the better choice in the integral calculation of the long time behavior in maintaining energy conservation. 相似文献
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Yang LI Yu ZHANG Xiao Long WANG Zhi HUANG Xiao Ping CAOState Key Laboratory of Applied Organic Chemistry College of Chemistry Chemical Engineering Lanzhou University Lanzhou 《中国化学快报》2004,(6)
A convenient and rapid approach for the synthesis of piperamide alkaloids la ~ h by the recently developed one-flask Ramberg-Backlund reaction was described. The synthesis of 1e was reported for the first time. 相似文献
66.
荧光钙探针试剂及其在生物分析中的应用 总被引:2,自引:0,他引:2
本文评论了荧光钙探针试剂合成、性质、结构和生物分析应用方面的进展。各种典型的荧光钙探针试剂均已分别加以讨论。 相似文献
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油莱甾醇内酯(Brassinolide)(1)是一种高效的植物生长激素,其生理活性与侧链中C_(22)、C_(23)的构型密切相关。当C_(22)、C_(23)为S、S构型时,其活性仅为1的十分之一。在1的 相似文献
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JinShengZHAO ZhenYuYANG YiHeZHANG ZhengYuYANG 《中国化学快报》2004,15(11):1361-1364
Cellulose/cellulose acetate membranes were prepared and functionalized by introducingamino group on it, and then immobilized the glucose oxidase (Gox) on the functionalizd membrane.SECM was applied for the detection of enzyme activity immobilized on the membrane.Immobilized biomolecules on such membranes was combined with analysis apparatus and can beused in bioassays. 相似文献
70.
A modified poly(ethylene glycol) (PEG) has been developed as the soluble polymeric supports for liquid phase synthesis of novel thiourea derivatives.In each step of the sequence,the PEG-bound products were precipitated in cold Et2O and the unreacted materials and by-products were removed by simple filtration.The progress of reaction,purity of the isolation and the structure of the PEG-bound products were easily monitored by TLC,IR and ^1H NMR spectra.Representative thiourea derivatives were obtained in moderate yields with excellent purity from this modified PEG-bound product by the cleavage with 50% TFA/H2O. 相似文献