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101.
A three-dimensional simulation model for colloidal dispersion system with an adsorptive surface under a specified bulk concentration was developed basing on the Brownian dynamics technique, and the adsorption process of electrostatically stabilized colloidal particles with radius of 50 nm onto a planar surface with counter charge was simulated. The particle-particle and particle-surface interactions were modeled on the DLVO theory. The adsorbed particles are found to form hexagonally ordered array, only if the surface coverage is above a certain threshold, which varies depending on the ionic strength or the interaction potentials. Through the analysis of the ordered structure, we found that the determinant factor for the order formation is “one-directional average force” acting between adsorbed particles, which exhibits a common value regardless of the ionic strength. Also, looking at the last process for establishing the order, we developed a model that can predict the potential barrier for the order formation. Further, the order formation was proven to be a stochastic phenomenon, and a model to describe the probability against time was developed and its quantitative validity was demonstrated. 相似文献
102.
We present a simple and fast algorithm to test the thermodynamic stability and determine the necessary chemical environment for the production of a multiternary material, relative to competing phases and compounds formed from the constituent elements. If the material is found to be stable, the region of stability, in terms of the constituent elemental chemical potentials, is determined from the intersection points of hypersurfaces in an (n−1)-dimensional chemical potential space, where n is the number of atomic species in the material. The input required is the free energy of formation of the material itself, and that of all competing phases. Output consists of the result of the test of stability, the intersection points in the chemical potential space and the competing phase to which they relate, and, for two- and three-dimensional spaces, a file which may be used for visualization of the stability region. We specify the use of the program by applying it both to a ternary system and to a quaternary system. The algorithm automates essential analysis of the thermodynamic stability of a material. This analysis consists of a process which is lengthy for ternary materials, and becomes much more complicated when studying materials of four or more constituent elements, which have become of increased interest in recent years for technological applications such as energy harvesting and optoelectronics. The algorithm will therefore be of great benefit to the theoretical and computational study of such materials. 相似文献
103.
In this article we describe our recent efforts in the area of palladium- and nickel-catalysed aromatic substitution reactions. Main focus is on low cost and low waste production methods. The use of aromatic carboxylic anhydrides in the Heck reaction leads to a waste-free protocol. In addition these reactions are easy to work up as no ligands or bases are used. For Heck reactions where substrates or products do not tolerate high temperatures we found that use of a bulky phosphoramidite (13b) as ligand for palladium leads to a very fast reaction at low temperatures. Recycle of palladium in ligand-free Heck and Suzuki reactions is easily accomplished by treating the palladium black that precipitates at the end of the reaction on a carrier material with a small excess of I2 prior to its re-use in the next run. Use of aryl chlorides in the palladium- and nickel-catalysed formation of biaryls can be accomplished by using the nickel-catalysed coupling with arylzinc chlorides. Better still, it was possible to make use of the arylgrignard and use a catalytic amount of ZnCl2. Whereas the strength of these aromatic substitution reactions lies in their broad tolerance of functional groups, one exception was the Sonogashira reaction on 3-bromoaniline. The problem was solved by making use of in situ catalytic protection of the NH2 group with benzaldehyde. 相似文献
104.
云母钛珠光颜料的形成机理研究 总被引:6,自引:0,他引:6
阐述了云母钛的形成机理,即云母依靠静电引力吸附[Ti(H2O)6]^4 形成双电层,双电层上的[Ti(H2O)6]^4 发生水解引起多核络合物生长为水合二氧化钛,水解的水合二氧化钛与云母产生异质颗粒间的互凝而形成云母钛。 相似文献
105.
The effects of moisture absorption on the dielectric properties of a rubber‐modified, mineral‐filled, epoxy resin based on the diglycidyl ether of bisphenol A cured with dicyandiamide are reported. Samples of the resin were aged by immersing in deionized water, or 5% w/w NaCl solution, at elevated temperatures. Dielectric measurements were carried out over the frequency range 10?1 to 6 × 105 Hz. A featureless dielectric spectrum was observed with both real and imaginary dielectric permittivity increasing with the amount of absorbed water. The change in the dielectric properties with absorption of water was independent of presence of salt, temperature of exposure, and aging history, although a hysteresis of the hydration–dehydration process was observed at low frequencies. Two types of absorbed water were observed—water molecularly dispersed within the epoxy matrix and clustered water in spherical microcavities. The time dependence of the real dielectric permittivity measured at 10 kHz was found to closely resemble that of the water absorption, which allowed the activation energy of diffusion to be calculated from both dielectric and gravimetric data. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 84: 1011–1024, 2002; DOI 10.1002/app.10368 相似文献
106.
Oligomerization of glycine (gly) and diglycine (gly2) on montmorillonite was performed as cyclic, drying-wetting process at temperatures below 100°C, under varying reaction conditions. The influence of substrate/clay ratio, temperature and pH was found to be different for amino acid (AA) dimerization, cyclic anhydride (CA) formation and peptide chain elongation. High temperatures and neutral pH favour CA formation over diglycine production. An AA/catalyst ratio of 0.2 mmol/g leads to optimal yields. This supports the assumption that amino acid dimerization and CA formation take place at the edges of clay particles. Peptide chain elongation, starting from gly2, produces higher yields at higher temperatures and neutral pH. 相似文献
107.
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110.
In the present paper, nonlinear features and analytical results for the chaotic bubbling from a submerged orifice are described. A chain of air bubbles was produced from the single orifice of in diameter and micro-convection induced by the bubble generation was recorded using hot-probe anemometer located close to the orifice. The air flow rate was varied widely from q=100 to and the aspects of bubbling were observed by high-speed video. The nonlinear analysis is performed for the time series data of hot-probe anemometer especially in the range of q=435-. The calculated largest Lyapunov exponent shows that with increase of air volume flow rate, the time period for the process of liquid flow to lose stability becomes shorter and at high air flow rate such as , it is shorter than the time period between subsequent bubbles. To explain such chaotic behaviors of bubbling, a simple model has been proposed. The model simulates the process of interaction between the elastic bubble wall and liquid. Simulation results compared well with the analytical results of experimental data. Summarizing, it is concluded that one of the reasons for chaos appearance is the nonlinear character of interaction between an elastic bubble wall and the liquid stream. 相似文献