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91.
In situ variable temperature XRD (VT-XRD) measurements on the transformation of nano-precursors to LaNiO phases are presented. Experimental results showed that LaNiO3 and La2NiO4 phases were formed at ca. 700 °C via the reaction of La2O3 and NiO (from the initial nano-precursors), where a relatively low temperature of 700 °C was found for the synthesis of La2NiO4. The formation of La3Ni2O7 at higher temperature (up to 1150 °C) appeared to proceed through a further reaction of La2NiO4 with unreacted NiO, whilst the formation of La4Ni3O10 (at 1075 °C) proceeded via a further decomposition of LaNiO3. Although phase pure La3Ni2O7 and La4Ni3O10 were not directly obtained under the processing conditions herein, the results of this study allow for a better understanding of formation pathways, particularly for the higher order La-Ni-O phases. 相似文献
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93.
The hydrogen molecule ion is a two‐center force system expressed under the prolate spheroidal coordinates, whose quantum motions and quantum trajectories have never been addressed in the literature before. The momentum operators in this coordinate system are derived for the first time from the Hamilton equations of motion and used to construct the Hamiltonian operator. The resulting Hamiltonian comprises a kinetic energy T and a total potential VTotal consisting of the Coulomb potential and a quantum potential. It is shown that the participation of the quantum potential and the accompanied quantum forces in the force interaction within H2+ is essential to develop an electronic motion consistent with the prediction of the probability density function |Ψ|2. The motion of the electron in H2+ can be either described by the Hamilton equations derived from the Hamiltonian H = TK + VTotal or by the Lagrange equations derived from the Lagrangian H = TK ? VTotal. Solving the equations of motion with different initial positions, we show that the solutions yield an assembly of electronic quantum trajectories whose distribution and concentration reconstruct the σ and π molecular orbitals in H2+. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
94.
In order to shorten the evaluation cycle of cobalt catalyst before the optimized catalyst is fixed on, a mathematical method is proposed to calculate weight percentage of C5+ hydrocarbons. Based on the carbide polymerization mechanism and the main hydrocarbons being linear alkanes and α-olefins, the correlation between hydrocarbon distribution and the molecular mass ratio of water to hydrocarbons is discussed. The result shows the ratio was within the range of 1.125-1.286 and the lower the ratio, the more gaseous hydrocarbons were obtained. Moreover, a linear equation between the weight percentage of C5+ hydrocarbons and the weight ratio of C5+ hydrocarbons to the total water is established. These results are validated by corresponding experiments. The weight percentage of C5+ hydrocarbons could be immediately calculated by this linear equation without detailed gas chromatography (GC) analysis of them. 相似文献
95.
Xiaoting Li Tao Hu Biao Wang Wenjian Weng Gaorong Han Chenglu Song Ning Ma Piyi Du 《Journal of Physics and Chemistry of Solids》2013
(100) Oriented (PbxSr1−x)TiO3 (PST) thin films were prepared on indium tin oxide coated glass substrates by sol–gel technique with rapid thermal processing. The dielectric permittivity and tunability of the thin films with different dispersion degrees of orientation were investigated in detail by characterizing the full width at half maximum of their (100) peak based on rocking curves at different annealing temperatures. Influence of orientation dispersion on dielectric properties was exhibited in the tunable dielectric thin films. It shows that the dielectric constant and hence the tunability of the sol–gel derived PST thin films are improved with the decrease in the dispersion degree of orientation of the perovskite phase other than the increase in the content of crystalline phase in the thin films. The dielectric constant (capacitance) and figure of merit of the oriented thin films are 3–6 times and 1 times higher than that of randomly oriented thin film respectively. 相似文献
96.
Science China Chemistry - Supporting Pd catalysts characterized significant different size distribution were obtained using PdCl2, [Pd(NH3)4](NO3)2 and Pd(acac)2 as precursors. High-resolution... 相似文献
97.
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99.
Li Feng Zhi‐Ming Li Zhen‐Xia Chen Yong‐Sheng Tan Lin‐Hong Weng Feng‐Gang Tao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o680-o681
The title compound, C38H32BrNO6, is a new photochromic tetrahydroazepinoisoquinoline (THAI). The longest spiro bond [1.589 (4) Å] can be broken very easily by UV light, leading to ring opening. This explains the photochromic behaviour. 相似文献
100.
J. Weng R. H. Olley D. C. Bassett P. Jskelinen 《Journal of Polymer Science.Polymer Physics》2004,42(18):3318-3332
Of the three melting peaks typical of a propylene–ethylene random copolymer (with 5.1 wt % ethylene) crystallized between 110 and 140 °C, the two higher peaks result from primary and secondary isothermal crystallization, whereas the material crystallized on cooling gives the lowest peak. In contrast to polypropylene homopolymers, which show strong morphological changes developing from the center of a spherulite, copolymer specimens are uniformly crosshatched. The highest melting peak is related to an open crosshatched framework of primary lamellae, and the next lower peak is related to later forming subsidiary lamellae filling the intervening space. The origin and nature of these double peaks are discussed in terms of the fractional crystallization and the ensuing constraints placed on isothermal lamellar thickening as a result of the exclusion of the comonomer from the polypropylene lattice. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 3318–3332, 2004 相似文献