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In this study, the optical conductivity of substitutionary doped graphene is investigated in the presence of the Rashba spin orbit coupling (RSOC). Calculations have been performed within the coherent potential approximation (CPA) beyond the Dirac cone approximation. Results of the current study demonstrate that the optical conductivity is increased by increasing the RSOC strength. Meanwhile it was observed that the anisotropy of the band energy results in a considerable anisotropic optical conductivity (AOC) in monolayer graphene. The sign and magnitude of this anisotropic conductivity was shown to be controlled by the external field frequency. It was also shown that the Rashba interaction results in electron–hole asymmetry in monolayer graphene. 相似文献
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The knowledge of hydrocarbon/water phase equilibria is important in the design and operation of equipment for petroleum transport and refining and petrochemical plants. The presence of water in a hydrocarbon mixture can affect the product quality and damage the operation equipment due to corrosion and formation of gas hydrates. Tracing the concentration of hydrocarbons in aqueous media is also important for technical purposes like preventing oil spills and for ecological concerns such as predicting the fate of these organic pollutants in the environment. 相似文献
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Georgios M. Kontogeorgis Ioannis Tsivintzelis Nicolas von Solms Andreas Grenner David Bøgh Michael Frost Anders Knage-Rasmussen Ioannis G. Economou 《Fluid Phase Equilibria》2010
Association theories such as the CPA (cubic-plus-association), NRHB (non-random hydrogen bonding) equations of state and the various variants of SAFT (statistical associating fluid theory) have been extensively applied to phase equilibrium calculations. Such models can also be used for estimating the monomer fraction of hydrogen bonding compounds and their mixtures. Monomer fraction data are obtained from spectroscopic measurements and they are available for a few compounds such as pure water and alcohols as well as for some alcohol–alkane and similar mixtures. These data are useful for an understanding of the capabilities and limitations of association models. The purpose of this work is two-fold: (i) to compare the performance of three models, CPA, NRHB and sPC-SAFT, in predicting the monomer fraction of water, alcohols and mixtures of alcohol-inert compounds and (ii) to investigate whether “improved” model parameters can be obtained if monomer fraction data are included in the parameter estimation together with vapor pressures and liquid densities. The expression “improved” implies parameters which can represent several pure compound properties as well as monomer fraction data for pure compounds and mixtures. The accuracy of experimental monomer fraction data is discussed, as well as the role of monomer fraction data in clarifying which association scheme should be used in these equations of state. The results reveal that the investigated association models (CPA, sPC-SAFT and NRHB) can predict, at least qualitatively correct, monomer fractions of associating compounds and mixtures. Only, small differences are observed between the models. In addition, it has been shown that, using a suitable association scheme, a single set of parameters can describe satisfactorily vapor pressures, liquid densities and monomer fractions of water and alcohols. The 4C scheme is the best choice for water, while for methanol there is small difference between the 2B and 3B association schemes. 相似文献
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CPA矩阵分光光度法同时测定三种酚 总被引:4,自引:2,他引:2
在无水乙醇介质中,对乙酰胺基酚,对氨基酚、对硝基酚三者的紫外吸收光谱相互严重重叠,用一般的光度分析手段无法同时测定。本文首次采用CPA矩阵法,不经分离直接测定了上述三组分的含量,实验结果表明:当选取216、234、260、292、312nm5个波长点作为CPA矩阵程序的最佳波长点时,该法对样品中各组分的平均回收率在100.2%-103.5%之间,结果较满意,与现行分析方法相比,本方法具有简便、快速的优点。本法已用于扑热息痛合成物中三组分含量的测定。 相似文献
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Ioannis TsivintzelisGeorgios M. Kontogeorgis Michael L. MichelsenErling H. Stenby 《Fluid Phase Equilibria》2011,306(1):38-56
In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor-liquid and liquid-liquid) and densities are considered for the mixtures involved. Different approaches for modeling pure CO2 and mixtures are compared. CO2 is modeled as non self-associating fluid, or as self-associating component having two, three and four association sites. Moreover, when mixtures of CO2 with polar compounds (water, alcohols and glycols) are considered, the importance of cross-association is investigated. The cross-association is accounted for either via combining rules or using a cross-solvation energy obtained from experimental spectroscopic or calorimetric data or from ab initio calculations. In both cases two adjustable parameters are used when solvation is explicitly accounted for. The performance of CPA using the various modeling approaches for CO2 and its interactions is presented and discussed, comparatively to various recent published investigations. It is shown that overall very good correlation is obtained for binary mixtures of CO2 and water or alcohols when the solvation between CO2 and the polar compound is explicitly accounted for, whereas the model is less satisfactory when CO2 is treated as self-associating compound. 相似文献
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在pH 4-6的六次甲基四胺介质中,显色剂偶氮氯膦I与铝形成稳定的蓝紫色络合物.讨论了吸收光谱、酸度、试剂用量、干扰离子等因素对实验的影响,确定了反应的最佳条件.铝含量在0-25μg/(50 mL )范围内符合比耳定律,铝络合物在600 nm处有最大吸收,表观摩尔吸光系数为3.9×104L/(mol·cm).用EDTA... 相似文献
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A Riemannian metric with a local contraction property can be used to prove existence and uniqueness of a periodic orbit and determine a subset of its basin of attraction. While the existence of such a contraction metric is equivalent to the existence of an exponentially stable periodic orbit, the explicit construction of the metric is a difficult problem.In this paper, the construction of such a contraction metric is achieved by formulating it as an equivalent problem, namely a feasibility problem in semidefinite optimization. The contraction metric, a matrix-valued function, is constructed as a continuous piecewise affine (CPA) function, which is affine on each simplex of a triangulation of the phase space. The contraction conditions are formulated as conditions on the values at the vertices.The paper states a semidefinite optimization problem. We prove on the one hand that a feasible solution of the optimization problem determines a CPA contraction metric and on the other hand that the optimization problem is always feasible if the system has an exponentially stable periodic orbit and the triangulation is fine enough. An objective function can be used to obtain a bound on the largest Floquet exponent of the periodic orbit. 相似文献