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991.
Amirdha Sher Gill 《Journal of Physics and Chemistry of Solids》2011,72(8):961-967
A new organic material 4-ethoxy-N-methyl-4-stilbazolium besylate monohydrate, a derivative in the stilbazolium family, known for efficient nonlinear optical materials, has been synthesized for the first time. Employing the slow evaporation technique, optically transparent good quality single crystals of size 15 mm×10 mm×5 mm were grown from methanol. The cell dimensions obtained by single crystal X-ray diffraction studies reveal that the crystal belongs to the monoclinic system. Functional groups of the grown crystal were identified from FTIR and NMR spectral analysis. UV−vis−NIR studies show that the crystal is transparent in the wavelength range 460-1100 nm. The thermal stability of the compound was determined by thermal analyses of the specimen. 相似文献
992.
H. Hagemann V. D'Anna S. Gomes G. Renaudin K. Yvon 《Journal of Physics and Chemistry of Solids》2011,72(4):286-289
The structural and vibrational properties of the isostructural compounds Ca2FeH6 and Sr2RuH6 are determined by periodic DFT calculations and compared with their previously published experimental crystal structures as well as new experimental vibrational data. The analysis of the vibrational data is extended to the whole series of alkaline-earth iron and ruthenium hydrides A2TH6 (A=Mg, Ca, Sr; T=Fe, Ru) in order to identify correlations between selected frequencies and the T-H bond length. The bulk moduli of Ca2FeH6 and Sr2RuH6 have also been determined within DFT. Their calculated values prove to compare well with the experimental values reported for Mg2FeH6 and several other compounds of this structure. 相似文献
993.
In the present paper a new empirical model is proposed to describe and predict the lattice constants for a series of cubic crystals, all of which have the A2XY6 composition (A=K, Cs, Rb, Tl; X=tetravalent cation, Y=F, Cl, Br, I). The model is based on a thorough analysis of structural properties of 85 representative crystals from this group. It was shown that the lattice constant is a linear function of the ionic radii and electronegativity of the constituting ions. A simple empirical equation was obtained as a result of the performed analysis. It gives very good agreement between the experimental and modeled values of the lattice parameters, with an average error of 1.05%. The developed approach can be efficiently used for a simple, fast, and reliable prediction of lattice constants and interionic distances in isostructural materials having a similar composition. 相似文献
994.
Nevenka Rajic Djordje Stojakovic Aleksander Recnik 《Journal of Physics and Chemistry of Solids》2011,72(6):800-803
Nanoparticles of NiO, ZnO and Cu2O crystallize when the Ni-, Zn- and Cu-exchanged natural clinoptilolite, respectively, are dehydrated by heating in air at 550 °C. The dehydration of Mn-exchanged clinoptilolite does not lead to the crystallization of manganese oxide but affects the crystallinity of the host clinoptilolite lattice, which becomes amorphous. The NiO, ZnO and Cu2O nanoparticles are found to be randomly dispersed in the clinoptilolite matrix. The particle size varies from 2 to 5 nm and exceeds the aperture of the clinoptilolite channel (approximately 0.4 nm), suggesting that the crystallization of the oxide phases takes place on the surfaces of clinoptilolite microcrystals. 相似文献
995.
The single crystal of Sb3+ and V3+ doped zinc chromium selenide spinel ZnCr2Se4 were prepared by a chemical transport method and characterized by ESR spectroscopy in order to examine the effect of nonmagnetic antimony and magnetic vanadium on properties of the system. For antimony admixtures the Neel temperature is very similar to that of the parent spinel ZnCr2Se4 (22 K). However, upon incorporating vanadium ions, the TN temperature decreases down to 17.5 K, determined for the maximum vanadium content (x=0.06). The temperature dependence of the ESR linewidth over paramagnetic region is interpreted by an occurrence of spin-phonon interaction. The strong broadening linewidth together with its strong temperature dependence for vanadium doped ZnCr2Se4 is explained by the complex paramagnetic relaxation model. 相似文献
996.
In this paper, a new type of circular photonic crystal (CPC) with a geometrical distribution of concentric layers is presented. A broad and isotropic photonic band gap is achieved using this geometrically distributed CPC (GCPC). Also, the influence of the number of concentric layers to the overall band gap of GCPC is studied. It is demonstrated that the band gap broadens with a red shift when the number of concentric layers is increased. The reason for the red shift of the band gap is further investigated. 相似文献
997.
998.
999.
Varghese MathewK.C. Mathai C.K. MahadevenK.E. Abraham 《Physica B: Condensed Matter》2011,406(3):426-429
Single crystals of nickel malonate dihydrate were grown by the gel technique, employing the single diffusion method. Thermal dehydration of the crystal was investigated by thermogravimetric and differential thermal analyses. The title compound exhibits a steady thermal behaviour at higher temperature range of 350-800 °C. The dielectric properties of the prepared sample were analyzed as a function of frequency in the range of 1 kHz-1 MHz and at temperatures between 40 and 140 °C. 相似文献
1000.
The structural, elastic and electronic properties of Ti2SiN were studied by first-principle calculations. The calculated bond lengths of Ti-Si and Ti-C are 2.65 and 2.09 Å, respectively. The results show Ti2SiN is mechanically stable, and its bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio μ and anisotropy factor A are determined to be 182 GPa, 118 GPa, 291 GPa, 0.233 and 1.57, respectively. The calculated electronic structure indicates that Ti2SiN is anisotropic and conductive. 相似文献