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71.
This paper considers the problem of change point in single index models. In order to obtain asymptotically valid confidence intervals for the estimation of the change point, the convergence rate and asymptotic distribution of the change point estimate is studied. Some simulation results are presented which show that the numerical performance of our estimator is satisfactory. 相似文献
72.
Computational Insights into the Charge Relaying Properties of β‐Turn Peptides in Protein Charge Transfers 下载免费PDF全文
Ru Zhang Dr. Jinxiang Liu Dr. Hongfang Yang Shoushan Wang Meng Zhang Prof. Dr. Yuxiang Bu 《Chemphyschem》2015,16(2):436-446
Density functional theory calculations suggest that β‐turn peptide segments can act as a novel dual‐relay elements to facilitate long‐range charge hopping transport in proteins, with the N terminus relaying electron hopping transfer and the C terminus relaying hole hopping migration. The electron‐ or hole‐binding ability of such a β‐turn is subject to the conformations of oligopeptides and lengths of its linking strands. On the one hand, strand extension at the C‐terminal end of a β‐turn considerably enhances the electron‐binding of the β‐turn N terminus, due to its unique electropositivity in the macro‐dipole, but does not enhance hole‐forming of the β‐turn C terminus because of competition from other sites within the β‐strand. On the other hand, strand extension at the N terminal end of the β‐turn greatly enhances hole‐binding of the β‐turn C terminus, due to its distinct electronegativity in the macro‐dipole, but does not considerably enhance electron‐binding ability of the N terminus because of the shared responsibility of other sites in the β‐strand. Thus, in the β‐hairpin structures, electron‐ or hole‐binding abilities of both termini of the β‐turn motif degenerate compared with those of the two hook structures, due to the decreased macro‐dipole polarity caused by the extending the two terminal strands. In general, the high polarity of a macro‐dipole always plays a principal role in determining charge‐relay properties through modifying the components and energies of the highest occupied and lowest unoccupied molecular orbitals of the β‐turn motif, whereas local dipoles with low polarity only play a cooperative assisting role. Further exploration is needed to identify other factors that influence relay properties in these protein motifs. 相似文献
73.
Experimental Charge Density Evidence for Pnicogen Bonding in a Crystal of Ammonium Chloride 下载免费PDF全文
Dr. Yulia V. Nelyubina Prof. Alexander A. Korlyukov Prof. Konstantin A. Lyssenko 《Chemphyschem》2015,16(3):676-681
Chemical binding in crystalline ammonium chloride, a simple inorganic salt with an unexpectedly complex bonding pattern, was studied by using a topological analysis of electron density function derived from high‐resolution X‐ray diffraction. Supported by periodic quantum chemical calculations, it provided experimental evidence for weak σ‐hole bonds (1.5 kcal mol?1) that involve ammonium cations in a crystal. Our results show this type of supramolecular interaction to be more numerous than has been found to date by using gas‐phase calculations or statistical analysis of CSD. 相似文献
74.
Development of a liquid chromatography with mass spectrometry method for the determination of gelsemine in rat plasma and tissue: Application to a pharmacokinetic and tissue distribution study 下载免费PDF全文
Shuangshuang Zhang Shuping Hu Xiangxiang Yang Jiaqi Shen Xiaoyong Zheng Kexin Huang Zheng Xiang 《Journal of separation science》2015,38(6):936-942
Gelsemine from Gelsemium elegans Benth is a potential anesthetic and analgesic agent with no physical dependence and opiate addiction. This study was aimed at developing an ultrafast liquid chromatography coupled to tandem mass spectrometry method to quantify gelsemine in rat plasma and tissues. Plasma and tissues were processed with acetonitrile precipitation, and dendrobine was chosen as the internal standard. Sample separation was performed on an ACQUITY HSS T3 column. The mobile phase consisted of acetonitrile and 0.1% formic acid aqueous solution. Multiple reactions monitoring mode was utilized to detect the compounds of interest. The mass spectrometer was operated in the positive ion mode for detection. The MS/MS ion transitions monitored were m/z 323.2→70.5 for gelsemine and 264.2→108.05 for dendrobine, respectively. The calibration curves were linear over the range of 1–500 ng/mL in all biological matrices. The lower limit of quantification for rats plasma and tissues was 1.0 ng/mL. The values for inter‐ and intraday precision and accuracy were well within the ranges acceptable (< 15%). It was successfully applied to the pharmacokinetic and tissue distribution studies of gelsemine after intravenous doses of 5, 2, and 0.5 mg/kg in rats. These data of gelsemine would be useful for clinical application and further development. 相似文献
75.
Liming Zhang Tao Qian Weixiong Mai Pei Dang 《Mathematical Methods in the Applied Sciences》2017,40(8):2815-2833
The Dirac‐type time‐frequency distribution (TFD), regarded as ideal TFD, has long been desired. It, until the present time, cannot be implemented, due to the fact that there has been no appropriate representation of signals leading to such TFD. Instead, people have been developing other types of TFD, including the Wigner and the windowed Fourier transform types. This paper promotes a practical passage leading to a Dirac‐type TFD. Based on the proposed function decomposition method, viz., adaptive Fourier decomposition, we establish a rigorous and practical Dirac‐type TFD theory. We do follow the route of analytic signal representation of signals founded and developed by Garbo, Ville, Cohen, Boashash, Picinbono, and others. The difference, however, is that our treatment is theoretically throughout and rigorous. To well illustrate the new theory and the related TFD, we include several examples and experiments of which some are in comparison with the most commonly used TFDs. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
76.
Gerardo Cáceres Montenegro Carolina G. Gutierrez Santiago E. Vaillard Roque J. Minari Jorge R. Vega Luis M. Gugliotta 《大分子反应工程》2017,11(3)
The synthesis of poly(acrylic acid) (PAA) of low molar mass under safe conditions is difficult due to the high polymerization rate of acrylic acid (AA) and the fast heat generation. The aqueous‐solution “semibatch” polymerization of non‐ionized AA in almost starved conditions involves high initiator loads when low molar masses are required. This article proposes the simultaneous feeding of AA and nonconventional chain transfer agents (CTA) as a strategy aimed at controlling both the molar masses and the generated heat rate. Three CTAs are investigated: 2‐mercaptoethanol, thioglycolic acid, and isopropyl alcohol. Even when PAA of relatively low molar mass can be produced by adequately selecting the flow rates and concentrations of both AA and CTA, it is found that the nature of CTA can have a significant effect on the polymerizations kinetics. The mechanisms responsible for these effects are discussed with the help of a representative mathematical model.
77.
The existing literature contains many examples of mean-field particle systems converging to the distribution of a Markov process conditioned to not hit a given set. In many situations, these mean-field particle systems are failable, meaning that they are not well defined after a given random time. Our first aim is to introduce an original mean-field particle system, which is always well defined and whose large number particle limit is, in all generality, the distribution of a process conditioned to not hit a given set. Under natural conditions on the underlying process, we also prove that the convergence holds uniformly in time as the number of particles goes to infinity. As an illustration, we show that our assumptions are satisfied in the case of a piece-wise deterministic Markov process. 相似文献
78.
研究了两相同部件温储备可修的人机系统,运用C_0半群的相关理论,对系统主算子的谱界进行估值.估算系统的算子产生的半群的增长界,然后运用了共尾的概念及相关的理论,得到了系统算子A+B的谱界与系统算子产生的半群的增长界相同.进而运用相关代数知识证得,0为系统算子的简单本征值,并分析了系统算子的谱分布,得到系统的指数稳定性.并研究了系统算子预解式的特性.对任意给定的δ0,γ=a+bi,-μ+δa_1≤a≤a_2,得到lim|b|→∞‖R(γ;A+B)‖=0.进而得到在~sRγ≥a_1的右半平面内相应于系统算子A+B的谱点由有限个本征值组成. 相似文献
79.
朱成莲 《数学的实践与认识》2017,(6):243-250
在Kullback-Leibler距离的基础上,对Kullback-Leibler距离进行改进,给出了新的Kullback-Leibler距离,并讨论了它的性质.计算了两个不同广义伽玛分布之间新的Kullback-Leibler距离.推导出伽玛分布、Weibull分布、Rayleigh分布、正态分布、指数分布新的Kullback-Leibler距离.另外在新的KullbackLeibler距离下,还得到digamma函数Ψ(x)=(Γ'(x)/(Γ(x))为单调递增函数. 相似文献
80.
当前对股利政策的研究主要集中在产权对股利政策的影响、自由现金流对股利政策的影响、公司过渡投资行为对股利政策的影响以及宏观经济波动对股利政策的影响等,而缺乏控股股东对股利政策的影响研究.现实中,控股股东对股利政策具有较大的影响,围绕控股股东对上市公司股利分配倾向的影响进行深入分析.具体而言,以2013-2014年度上证A股数据,建立Log斌ic模型和多元线性回归模型分析控股股东的几方面特征对股利分配倾向产生的多种影响.研究从理论上客观地评价了控股股东对股利分配倾向的影响,现实中对维护中小股东权益有重要意义. 相似文献