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921.
A mechanism is presented which drives a fluid flow using two chemically reacting molecular species and osmotic effects. For concreteness the mechanism is discussed in the context of a tube which at each end has a capping membrane which is permeable to the fluid but impermeable to the two molecular species. The chemical reactions occur at sites embedded in the capping membrane. Labeling the two chemical species A and B, at one end the reactions split each molecule of species B into two molecules of species A. On the other end two molecules of species A are fused together to form a single molecule of species B. A mathematical model of the solute diffusion, fluid flow, and osmotic effects is presented and used to describe the non-equilibrium steady-state flow rate generated. Theoretical and computational results are given for how the flow rate depends on the relative diffusivities of the solute species and the geometry of the system. An interesting feature of the pump is that for the same fixed chemical reactions at the tube ends, fluid flows can be driven in either direction through the tube, with the direction depending on the relative diffusivities of the solute species. The theoretical results are compared with three-dimensional numerical simulations of the pump. 相似文献
922.
Maryam Abareshi Elaheh K. Goharshadi S. Mojtaba Zebarjad 《Journal of Molecular Liquids》2009,149(3):66-73
In the present work, we have used a simple equation of state called the GMA EoS to calculate the density of three ionic liquid mixtures including 1-butyl-3-methylimidazolum hexafluorophosphate, [BMIM] [PF6] + methanol, 1-butyl-3-methylimidazolum tetrafluoroborate, [BMIM] [BF4] + methanol, and [BMIM] [BF4] + ethanol at different temperatures, pressures, and compositions. The isothermal compressibility, excess molar volumes, and excess Gibbs molar energy of these mixtures have been computed using this equation of state. The values of statistical parameters show that the GMA EoS can predict these thermodynamic properties very well within the experimental errors. The results show that isothermal compressibility of ionic liquids is lower than alcohols and the effect of temperature and pressure on the isothermal compressibility of ionic liquids is lower than alcohols. The excess molar volumes and excess molar Gibbs energy for these ionic liquid mixtures with alcohols are all negative at various temperatures and pressures over the whole composition range. The results have been interpreted in terms of intermolecular interactions and structural factors of the ionic liquids and alcohols. 相似文献
923.
基于经典电动力学导出的表征简单离子磁化率的磁性点价gi所构建的分子磁性连接性指数?mF及45种碱金属化合物的摩尔磁化率χm的实测数据集,利用粒子群寻优的支持向量回归(SVR)方法,建立了基于0F和1F的碱金属化合物χm的预测模型,并与基于多元线性回归(MLR)模型的计算结果进行了比较.结果显示,基于9次交叉验证的SVR模型预测的平均绝对误差、平均相对误差绝对值以及均方根误差均比MLR模型小,表明SVR模型的回归预测能力优于MLR.研究表明,磁性连接性指数mF是一种合适的分子描述符,SVR是一种预测碱金属化合物χm的有效方法.
关键词:
碱金属化合物
摩尔磁化率
支持向量回归
预测 相似文献
924.
光散射法测量颗粒尺寸、浓度的实验研究 总被引:1,自引:0,他引:1
为了能够准确快速地求解出微米量级颗粒系的尺寸和浓度,设计了一套基于Fraunhofer衍射,以线阵CCD为接收器件的实验颗粒测量装置.采用Shifrin积分变换方法,分析了给定样品颗粒的粒径分布、峰值、平均值和体积浓度.实验结果表明,与传统的Swithenbank方法采用环形光电管阵列为探测器接收衍射光强来反演颗粒分布方法相比,该方法不需要知道颗粒粒径上下限,各粒径区间间隔等预知信息,而且对粒径、浓度的实验测量值与理论值相差较小,样品峰值粒径为9.849 8 μm,与给定峰值的相对误差为3.432%,具有较高的测试准确度和较好的测试效果. 相似文献
925.
926.
关于高维单形体积的不等式 总被引:1,自引:0,他引:1
给出了高维单形与界面有关的体积不等式和与二面角有关的体积不等式,进而建立正则单形的有别于定义式的体积公式. 相似文献
927.
928.
929.
Vapor–liquid equilibrium (VLE) data for binary toluene/PVAC, methanol/PVAC and ternary toluene/methanol/PVAC systems have been measured at 100 °C by using vapor-phase infrared spectroscopy. Binary data have been compared with literature data measured by different experimental techniques and agreement between our measurements and others was found to be good. The ternary VLE data indicate that the solubility of methanol in PVAC is not influenced by the presence of toluene, while the solubility of toluene is lowered due to presence of methanol. To predict ternary VLE data, the Entropic free volume and Kannan free volume models and the Flory-Huggins theory were used. The predictive abilities of Flory-Huggins theory and the Kannan free volume model are similar and better than that of the Entropic free volume model. 相似文献
930.
Raouf Zehioua Christophe Coquelet Chien-Bin Soo Dominique Richon Abdeslam-Hassen Meniai 《Thermochimica Acta》2009,495(1-2):72-80
In this work, the measured excess molar enthalpies of absorption heat pump working pairs (refrigerant + absorbent), viz. water + mono-, di- and tri-ethylene glycol, water + glycerol, and ethanol + di- and tri-ethylene glycol mixtures are presented at 298.15 K and ambient pressure using a Setaram Calvet C80 calorimeter. The experimental results are represented and correlated by a Redlich–Kister type equation. Modeling of the excess enthalpies has been performed using the UNIFAC molecular group-contribution method, and UNIQUAC Gibbs energy model. In addition, the data and results are used to predict the Gibbs energy of all binary systems. This allows a preliminary evaluation of the suitability of the binary systems as heat pump working pairs. 相似文献