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1.
We proposed a novel kinetic energy decomposition analysis based on information theory. Since the Hirshfeld partitioning for electron densities can be formulated in terms of Kullback–Leibler information deficiency in information theory, a similar partitioning for kinetic energy densities was newly proposed. The numerical assessments confirm that the current kinetic energy decomposition scheme provides reasonable chemical pictures for ionic and covalent molecules, and can also estimate atomic energies using a correction with viral ratios.  相似文献   
2.
《印度化学会志》2023,100(3):100937
Main core part of the research is to develop a novel mathematical model of MHD-Maxwell nanofluid over a stretching and shrinking surface. The stretching ratio, velocity slip and convective boundary conditions are also incorporated. The PDE's with associative boundary conditions are deduced into coupled highly non-linear ODE's by utilizing suitable transformations. The deduced dimensionless sets of Ordinary differential equations are solved by Optimal-Homotopy Analysis Method (OHAM). Behavior of pertinent parameters on the velocity, temperature and concentration fields as well as important aspects skin friction, Nusselt number and Sherwood number are recorded in Table 2. Outcomes declared that role of stretching ratio plays a prominent role in stretching surfaces its clearly recorded in Table 1(a & b).  相似文献   
3.
气承式膜结构是典型的柔性结构,具有较强的非线性,通过铺设索网以保证其具有足够的刚度和稳定性。本文首先通过缩尺试验对设有不同索网的气承式膜结构进行不同内压下的试验研究,得到了内压的变化对索力值大小的影响和变化规律;其次,采用Ansys软件建立与试验相同的模型,结果对比分析验证了数值模拟方法的准确性;最后,建立实际工程模型,研究了不同内压和矢跨比条件下结构膜面位移和应力分布,确定结构存在合理的矢跨比,并进行了两种索网布置下结构在不同内压下最大应力和位移的对比分析。研究表明,斜交索网有效约束了结构的位移并改善了膜面的受力性能,该结果能为今后相关的工程设计提供参考依据。  相似文献   
4.
采用CO_(2)激光区熔法制备了Lu_(2)O_(3)∶0.5%Er^(3+)/x%Yb^(3+)(x=1,3,5)上转换荧光材料。X射线衍射结果表明,所制备的Lu_(2)O_(3)∶Er^(3+)/Yb^(3+)荧光材料具有纯Lu_(2)O_(3)晶相。在980 nm激光激发下,样品发出明亮的上转换荧光。光谱测试结果表明,样品上转换荧光强度和荧光中绿光与红光比例随Yb^(3+)离子浓度改变,当Er^(3+)和Yb^(3+)离子浓度分别为0.5%和3%时,样品上转换荧光强度最强。通过荧光强度比(FIR)技术研究了样品Lu_(2)O_(3)∶0.5%Er^(3+)/3%Yb^(3+)在298~873 K温度范围内上转换荧光温度传感特性,在532.8 K时最大绝对灵敏度为0.0060 K^(-1),在298 K时最大相对灵敏度为0.0090 K^(-1)。结果表明,Lu_(2)O_(3)∶Er^(3+)/Yb^(3+)荧光材料非常适合用于宽温度范围荧光温度传感。  相似文献   
5.
One of the most significant issues of the last few decades has been tracing for renewable energy sources. Animal fleshing (ANFL) is the most common proteinaceous solid waste accured during the production of leather and it must be disposed of in an environmentally responsible manner. This paper is attempts to assess the biogas production from solid waste originating from the chrome based tannery. Anaerobic digestion of these wastes will be a viable option for waste stabilization and energy production in the form of biogas to be utilized in the industry. The bio-methane potential of the wastes were examined by mixing these wastes with various sources of inoculum and different inoculum to substrate (I/S) ratio considered. The batch experiments were carried out in 2.5 l glass reactors with a various source of inoculumviz., Cow Dung (CD), Elephant Dung (ED) and Bio-Digested Slurry (BDS) with varied inoculum to substrate (LFs) ratios for a retention time of 50 days with replications. The results obtained from the experiments showed that BDS:LF (25:75) had the highest gas production of 14505 ml (651.85 ml CH4g?1 VS) followed by CD:LF (50:50) produced 12072.5 ml (789.36 ml CH4g?1 VS) and ED:LF (75:25) produced 11252.5 ml (1492.08 ml CH4g?1 VS)with a methane content of 63.77, 61.92 and 62.72%, respectively.  相似文献   
6.
建立了一种基于低共熔溶剂的旋涡辅助分散液-液微萃取和高效液相色谱连用检测水样中臧红T和胭脂红染料的方法。制备了一类分别由苄基三乙基溴化铵、苄基三丁基溴化铵、苄基三乙基氯化铵或苄基三丁基氯化铵(氢键受体)和正辛酸(氢键供体)组成的新型疏水性低共熔溶剂。最佳萃取条件为:选取苄基三丁基氯化铵和正辛酸(摩尔比为1∶2)制备的低共熔溶剂为萃取剂,萃取剂用量为75μL,萃取时间为1 min,溶液pH=7,NaCl浓度为3 mg/mL。在最优化条件下,检测臧红T和胭脂红的线性范围为4.8~1000 ng/mL;相关系数(R^(2))分别为0.9981和0.9987;检出限分别为1.5和1.8 ng/mL;定量限均为4.8 ng/mL。将该方法应用于实际水样中臧红T和胭脂红的测定,加标回收率为88.5%~113.6%,相对标准偏差均低于8.8%。  相似文献   
7.
A new method for the determination of the 34S/32S ratio of water-extractable sulphate in soil is described. Soils are extracted directly with deionized water, which is evaporated down. The remaining residue is then rehydrated and transferred to tin cups containing an adsorbent and mixed with an oxygen donor (V2O5). Samples are then analysed using a continuous flow isotope ratio mass spectrometer. The new method requires around 10?g soil per determination, compared to much larger amounts (up to kilograms) of soil required for the previous methods. Sample preparation and subsequent analysis is quick and efficient. The method is demonstrated using a number of soils collected from around the world to provide a range of determined δ34S values. The δ34S values of water-extractable sulphur were broadly similar to those of the soil total sulphur.  相似文献   
8.
This work demonstrates resolution enhancement of a quadrupole mass filter (QMF) under the influence of a static magnetic field. Generally, QMF resolution can be improved by increasing the number of rf cycles an ion experiences when passing through the mass filter. In order to improve the resolution, the dimensions of the QMF or the operating parameters need to be changed. However, geometric modifications to improve performance increase the manufacturing cost and usually the size of the instrument. By applying a magnetic field, a low‐cost, small footprint instrument with reduced power requirements can be realized. Significant improvement in QMF resolution was observed experimentally for certain magnetic field conditions, and these have been explained in terms of our theoretical model developed at the University of Liverpool. This model is capable of accurate simulation of spectra allowing the user to specify different values of mass spectrometer dimensions and applied input signals. The model predicts enhanced instrument resolution R>26 000 for a CO2 and N2 mixture with a 200‐mm long mass filter operating in stability zone 3 via application of an axial magnetic field. Copyright © 2013 John Wiley & Sons, Ltd.  相似文献   
9.
10.
Ming Yin  Wei Liu  Xia Zhao  Qing-Wei Guo  Rui-Feng Bai 《Optik》2013,124(24):6896-6904
Image denoising is always the basic problem of image processing, and the main challenge is how to effectively remove the noise and preserve the detailed information. This paper presents a new image denoising algorithm based on the combination of trivariate prior model in nonsubsampled dual-tree complex contourlet transformlet transform (NSDTCT) domain and non-local means filter (NLMF) in spatial domain. Firstly, NSDTCT is constructed by combining the dual-tree complex wavelet transform (DTCWT) and nonsubsampled directional filter banks (NSDFB). The noisy image is decomposed by using NSDTCT. Secondly, based on the correlation between the interscale and intrascale dependencies of NSDTCT coefficients, the distribution of the high frequency coefficients is modeled with the trivariate non-Gaussian distribution model. A nonlinear trivariate shrinkage function is derived in the framework of Bayesian theory, and then the denoised coefficients are obtained and inverse NSDTCT is performed to get the initial denoised image. Finally, NLMF is used to smooth the initial denoised image. Simulation experiment shows that our algorithm can obtain better performances than those outstanding denoising algorithms in terms of peak signal-to-noise ratio (PSNR), mean structural similarity (MSSIM) as well as visual quality.  相似文献   
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