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亚氯酸盐-硫脲反应体系的非线性动力学 总被引:2,自引:0,他引:2
The reaction between chlorite and thiourea could display batch oligooscillation and CSTR oscillation of pH.Batch pH peak has the same character with pH oscillation in a CSTR.The oxidation of thiourea produced intermediates such as HOSC(NH)NH2,HO2SC(NH)NH2,HO3S(NH)NH2 and bisulfite.The valence change of sulfur has close relation with pH dynamics.Through the mechanistic analysis,a general model of sulfur(- II) oxidation,which consists of negative hydrogen ion feedback(S(- II) to S(0)),a transition process of S(0) to S(IV) and positive proton feedback from S(IV) to S(VI),could simulate batch oligooscillation and CSTR oscillation.This result is setting up a new channel to uncover the reaction mechanism and simulate the nonlinear phenomena in the reactions between chlorite and Sulfur(- II). 相似文献
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用AM1、MNDO和INDO半经验方法研究了异质富勒烯C 相似文献
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In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, quantum chemistry and discriminatory analysis. It has been found that the process of the interaction of the fused heterocydic sulfonamide with ALS enzyme involves the electropositive region of the sulfonyl bridge chain and the electronegative region of the heterocydic moiety. The herbicidal activity is related to the potency of electric charge translocation of the related regions. 相似文献
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In this paper, the Lotka's model in closed system has been discussed in detail. Considering the consumption of reaction reagent, this model is analysed in accordance with the first order harmonic wave approximation and digital calculated by using the microcomputer.For the various initial conditions (according to, approaching, deviating from and deviating far from the Lotka's steady-state condition) the corresponding chemical oscillation behaviours are studied. The rules in connection with the time dependence of corresponding concentrations and the reaction trajectories in the relative component concentration phase space are obtained. The effectual regions in regard to the first order harmonic wave are examined. The relative results may be used to explain some important chemical oscillation phenomena, such as the sustained, damped and exploded oscillations. 相似文献
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肾上腺素氧化反应的研究——氧化反应动力学和机理以及自由基中间体 总被引:4,自引:0,他引:4
用紫外吸收光谱法结合计算机模拟研究了肾上腺素(Adjn)在Cu(Ⅱ)离子催化下,用H_2O_2氧化产生肾上腺素红(Adom)的反应动力学,考查了反应的速率随体系中肾上腺素的初始浓度,Cu(Ⅱ)离子浓度和H_2O_2浓度的变化情况。在流动法或添加自由基稳定剂的条件下,利用顺磁共振法检测丁肾上腺素自氧化,光氧化和Cu(Ⅱ)离子催化H_2O_2氧化产生的半醌自由基。考查了Cu(Ⅱ)离子催化下自由基的相对浓度随反应条件的变化情况。在反应动力学和顺磁共振实验的基础上所提出的可能的反应机理,半定量地解释此反应动力学实验结果和顺磁共振实验中的自由基行为。 相似文献