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1.
Alkynes cycloaddition reactions are powerful tools for constructing cyclic molecules with optimal atom efficiency, but these reactions cannot proceed at ambient temperature without transition-metal catalysts. In this work, a heterobimetallic complex featuring an Nb–Fe triple bond, Nb(iPrNPMe2)3Fe–PMe3, has been evaluated as the potential catalyst for acetylene cycloaddition, using density functional theory. The calculated results show that the singlet-state (i.e. ground-state) Nb(iPrNPMe2)3Fe–PMe3 can be applied to benzene synthesis, but is not suitable for cyclobutadiene. Benzene can be obtained easily at room temperature and is the unique product on the singlet potential surface. The irradiation of infrared-red light can drive the excitation of singlet Nb(iPrNPMe2)3Fe–PMe3 to its triplet state. Both benzene and cyclobutadiene can be formed on the triplet reaction potential surface due to their low energy barriers. Therefore, Nb(iPrNPMe2)3Fe–PMe3 is a potential high reactivity heterobimetallic catalyst for the cyclotrimerization of alkynes. In the reaction process, the catalytic active site of Nb(iPrNPMe2)3Fe–PMe3 moves from niobium to iron. 相似文献
2.
Polymethyl methacrylate (PMMA) is one of the most commonly used optical materials. However, the application of it in the area of optical communication is strongly limited by the intrinsic absorption loss of carbon-hydrogen stretching vibration. In this paper, we present a method to solve the problem by adopting the hollow-core fibers with cobweb cladding structure. The fibers use a single dielectric material and may solve the problem of structural support. Thus the feasibility of the “OmniGuide” fibers is improved, while a series of advantages of the “OmniGuide” hollow-core fiber are retained. It is promising that a fiber with low transmission loss, high bandwidth, large-core, and low costs can be designed and fabricated using PMMA. At the same time, a very broad range of the wavelengths (from visible to near infrared region, for instance, wavelengths at 0.65-1.12 μm, and even 1.30 μm, 1.54 μm and their neighbors) may be adopted for signal wavelength. 相似文献
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C.-G. Duan L.-H. Song L.-J. Huo G.-L. Li 《The European Physical Journal C - Particles and Fields》2003,29(4):557-561
The energy loss effect in nuclear matter, which is a nuclear effect apart from the nuclear effect on the parton distribution as in deep-inelastic scattering process, can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of the nuclear parton distribution studied only with lepton deep-inelastic scattering experimental data, the measured Drell-Yan production cross sections for 800 GeV proton incident on a variety of nuclear targets are analyzed within the Glauber framework which takes into account the energy loss of the beam proton. It is shown that the theoretical results with considering the energy loss effect are in good agreement with the FNAL E866 data.Arrival of the final proofs: 24 June 2003 相似文献
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Shui Cao ZHENG Huo Nan LIN Di He HU 《数学学报(英文版)》2005,21(5):1137-1148
In this paper, we investigate the Hausdorff measure for level sets of N-parameter Rd-valued stable processes, and develop a means of seeking the exact Hausdorff measure function for level sets of N-parameter Rd-valued stable processes. We show that the exact Hausdorff measure function of level sets of N-parameter Rd-valued symmetric stable processes of index α is Ф(r) = r^N-d/α (log log l/r)d/α when Nα 〉 d. In addition, we obtain a sharp lower bound for the Hausdorff measure of level sets of general (N, d, α) strictly stable processes. 相似文献
7.
对于具有周期单元的分层介质材料高反射区的波长范围,提供一种简明的估计分析方法.基于Floquet定理,分析了有限周期单元分层介质的光子带隙特性,给出分层介质的高反射区波长范围.讨论了分层介质高反射区和周期单元禁带之间的关系.计算表明,高反射区和周期单元禁带的中心波长彼此一致.并且,随着分层介质周期单元数的增多,高反射区的深度和带宽就越接近于周期单元禁带的深度和宽度.最后,讨论周期分层介质的光子带隙特性与入射角及其与极化的变化关系.
关键词:
分层介质
带隙特性
周期单元
高反射区 相似文献
8.
利用BUU模型模拟核-核碰撞36Ar+108Ag(35Mev/u)、14N+108Ag(35MeV/u)中的平衡前中子发射.模拟结果与唯象的运动源拟合给出的中等速度源成份相吻合.这说明中等速度源成份产生于核-核碰撞的早期,对应平衡前发射.并从级联碰撞的角度定量地研究了平衡前发射的持续时间 相似文献
9.
Zhao‐Peng Deng Shan Gao Li‐Hua Huo Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m225-m227
In the title complex, [Mn(SO4)(C3H7NO)(H2O)2]n, each MnII ion has a distorted octahedral geometry formed by three O atoms of three different sulfate groups, one O atom of a dimethylformamide ligand and two water molecules. The sulfate groups act as tridentate bridging ligands connecting the MnII ions into a two‐dimensional layer structure which can be regraded as a 4.82 network. 相似文献
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