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931.
(9−x)CaO·xMgO·15Na2O·60SiO2·16CaF2(x=0, 2, 4, 6, and 9) oxyfluoride glasses were prepared. Utilizing the Raman scattering technique together with 29Si and 19F MAS NMR, the effect of alkaline metal oxides on the Q species of glass was characterized. Raman results show that as magnesia is added at the expense of calcium oxide, the disproportional reaction Q3→Q4+Q2 (Qn is a SiO4 tetrahedron with n bridging oxygens) prompted due to the high ionic field strength of magnesia, magnesium oxide entered into the silicate network as tetrahedral MgO4, and removed other modifying ions for charge compensation. This reaction was confirmed by 29Si MAS NMR. 19F MAS NMR results show that fluorine exists in the form of mixed calcium sodium fluoride species in all glasses and no Si–F bonds were formed. As CaO is gradually replaced by MgO (x=6, 9), a proportion of the magnesium ions combines with fluorine to form the MgF+ species. Meanwhile, some part of Na+ ions complex F− in the form of F–Na(6). 相似文献
932.
Jijun Xiao Wenrui Wang Jun Chen Guangfu Ji Wei Zhu Heming Xiao 《Physica B: Condensed Matter》2012,407(17):3504-3509
Molecular dynamics simulation was applied to study the structure and energy properties of β-HMX (β-cyclotetramethylene tetranitramine) crystal and its composite PBXs (polymer-bonded explosives) with F2311 as a polymer binder under different temperatures and F2311 concentrations. The interface interaction energy of HMX and F2311, the interaction energy EN–N between N atoms in N–NO2 trigger bond in HMX molecules, and the cohesive energy density (CED) are presented and analyzed. A meaningful finding is that there exists correlation between EN–N and the sensitivity of β-HMX and its composites, i.e. the less the EN–N is, the larger the sensitivity is. Additionally, molecular interactions are inherently disclosed by using pair correlation function (PCF) to analyze the interfacial structure between (1 0 0)HMX crystal surface and F2311 molecular chain. 相似文献
933.
Christopher T. Chantler Nicholas A. Rae M. Tauhidul Islam Stephen P. Best Joey Yeo Lucas F. Smale James Hester Narges Mohammadi Feng Wang 《Journal of synchrotron radiation》2012,19(2):145-158
Methods for the quantification of statistically valid measures of the uncertainties associated with X‐ray absorption fine structure (XAFS) data obtained from dilute solutions using fluorescence measurements are developed. Experimental data obtained from 10 mM solutions of the organometallic compound ferrocene, Fe(C5H5)2, are analysed within this framework and, following correction for various electronic and geometrical factors, give robust estimates of the standard errors of the individual measurements. The reliability of the refinement statistics of standard current XAFS structure approaches that do not include propagation of experimental uncertainties to assess subtle structural distortions is assessed in terms of refinements obtained for the staggered and eclipsed conformations of the C5H5 rings of ferrocene. Standard approaches (XFIT, IFEFFIT) give refinement statistics that appear to show strong, but opposite, preferences for the different conformations. Incorporation of experimental uncertainties into an IFEFFIT‐like analysis yield refinement statistics for the staggered and eclipsed forms of ferrocene which show a far more realistic preference for the eclipsed form which accurately reflects the reliability of the analysis. Moreover, the more strongly founded estimates of the refined parameter uncertainties allow more direct comparison with those obtained by other techniques. These XAFS‐based estimates of the bond distances have accuracies comparable with those obtained using single‐crystal diffraction techniques and are superior in terms of their use in comparisons of experimental and computed structures. 相似文献
934.
935.
Yuanyuan Li Qiang Li Lin Wang Zi Yang Jinghan Gao Xiangcheng Chu 《Solid State Communications》2012,152(18):1791-1794
Antiferroelectric (Pb, La) (Zr, Sn, Ti)O3 (PLZST) single crystals have been successfully grown by flux method using PbO–PbF2–B2O3 as the flux. The obtained crystals are pale yellow in color and translucent. Domain structures, dielectric constants and optical transmission measurements have been performed on the 〈001〉-oriented PLZST single crystals. Two types of domains, namely, 90° and 180° domains, are observed. The extinction of 90° domains at P/A: 0° reveals a tetragonal structure in the crystal. The sequence of phase transitions from antiferroelectric to ferroelectric and then paraelectric has been established with increasing temperature. According to the modified Curie–Weiss relationship, the PLZST crystal is in an intermediate state between normal and relaxor antiferroelectrics. The broad optical transparent region (from 0.4 to 7.0 μm) and high optical transmittance (up to 65%) indicate that PLZST crystals are promising for optical uses. 相似文献
936.
A facile strategy has been developed for the preparation of bimetallic gold–silver (Au–Ag) nanocomposite films by alternating absorption of poly-(ethyleneimine)–silver ions and Au onto substrates and subsequent reduction of the silver ions. The composition, micro-structure and properties of the {PEI–Ag/Au}n nanocomposite films were characterized by ultraviolet visible spectroscopy (UV–vis), transmisson electron microscopy (TEM), field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), surface enhanced Raman scattering (SERS) and cyclic voltammetry (CV). The UV–vis characteristic absorbances of {PEI–Ag/Au}n nanocomposite thin film increase almost linear with the number of bilayers, which indicates a process of uniform assembling. Appearance of a double plasmon bands in the visible region and the lack of apparent core–shell structures in the TEM images confirm the formation of bimetallic Au–Ag nanoparticles. The result of XPS also demonstrates the existence of Ag and Au nanoparticles in the nanocomposite films. TEM and FESEM images show that these Ag and Au nanoparticles in the films possess sphere structure with the size of 20–25 nm. The resulting {PEI–Ag/Au}n films inherit the properties from both the metal Ag and Au, which exhibits a unique performance in SERS and electrocatalytic activities to the oxidation of dopamine. As a result, the {PEI–Ag/Au}n films are more attractive compared to {PEI–Ag/PSS}n and {PEI/Au}n films. 相似文献
937.
Jiafu Wang Shaobo Qu Zhuo Xu Hua Ma Xinhua Wang Daqing Huang Yongfeng Li 《Photonics and Nanostructures》2012,10(4):540-546
We demonstrated the possibility of designing super-thin electromagnetic cloaks based on spoof surface plasmon (SSP). Using a metamaterial layer, incident waves can be coupled into SSP efficiently at the air/metamaterial interface. Due to the strong surface confinement of SSP, EM waves are squeezed into and propagate in deep sub-wavelength scales. Implementation of an 8.2 GHz cloak less than 1/50 the cloaking diameter was presented using split ring resonator (SRR). Excellent cloaking effect was verified by simulations. Rather than isolating objects from the background, such cloaks can drastically enhance the field intensity around the cloaked object. This is of particular importance in applications such as weak wave detection and near-field sensing. 相似文献
938.
We propose a least-mean-square adaptive filter with automatic step-size adjustment (ASSA). At each time instant when a new observation of the input signal arrives, a new step-size parameter is chosen such that the sum of the squares of the measured estimation errors up to that current time instant is minimized. This step size, after being normalized by the power of the current tapped filter input, is used to update the filter weights for the next time instant. The filter weights are thus updated automatically without the aid of any preset control parameters. When applied to channel estimation, simulation results show the performance advantage of the ASSA algorithm over the existing step-size adjustment algorithms under different wireless channel environments. 相似文献
939.
X. Wang L. X. You X. M. Xie C. T. Lin M. H. Jiang 《Journal of Raman spectroscopy : JRS》2012,43(7):949-953
Exfoliated Bi2Sr2CaCu2O8+δ (Bi‐2212) single crystals were prepared by micromechanical cleavage of bulk Bi‐2212 single crystals on SiO2/Si substrates. Room temperature micro‐Raman spectra were collected using a 532‐nm laser source. The evolutions of the spectra of A1g (Bi), A1g (Sr), and A1g (OBi) Raman modes with different thicknesses of the samples were studied. The refractive index of Bi‐2212 single crystal was obtained by studying the intensity evolutions based on the interference effect. The observed wavenumber shifts of the A1g (Bi), A1g (Sr), and A1g (OBi) modes were analyzed. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
940.
A new high order finite-difference method utilizing the idea of Harten ENO subcell resolution method is proposed for chemical reactive flows and combustion. In reaction problems, when the reaction time scale is very small, e.g., orders of magnitude smaller than the fluid dynamics time scales, the governing equations will become very stiff. Wrong propagation speed of discontinuity may occur due to the underresolved numerical solution in both space and time. The present proposed method is a modified fractional step method which solves the convection step and reaction step separately. In the convection step, any high order shock-capturing method can be used. In the reaction step, an ODE solver is applied but with the computed flow variables in the shock region modified by the Harten subcell resolution idea. For numerical experiments, a fifth-order finite-difference WENO scheme and its anti-diffusion WENO variant are considered. A wide range of 1D and 2D scalar and Euler system test cases are investigated. Studies indicate that for the considered test cases, the new method maintains high order accuracy in space for smooth flows, and for stiff source terms with discontinuities, it can capture the correct propagation speed of discontinuities in very coarse meshes with reasonable CFL numbers. 相似文献