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71.
72.
Xia Yin Weiguang Zhang Qijiao Zhang Jun Fan Chian Sing Lai Edward R. T. Tiekink 《应用有机金属化学》2004,18(3):139-140
The centrosymmetric structure of {Cd[S2CN(CH2Ph)2]2}2 features both bridging and chelating dithiocarbamate ligands so that a square pyramidal S5 coordination geometry results. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
73.
The centrosymmetric title compound, [Cd2{CH3OC6H4P(OC5H9)S2}4], features an eight‐membered [? Cd? S? P? S? ]2 ring owing to the presence of bridging dithiolate ligands. Tetrahedral coordination geometries for cadmium are completed by chelating ligands. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
74.
中小学教师教育技术能力培训评价是中小学教师教育技术能力培训活动的构成部分之一。本文将绩效评价的特点引入到教师教育技术培训评价中,结合《中小学教师教育技术能力标准(试行)》,制定了培训绩效评价指标体系,给参与中小学教师教育技术能力培训活动的相关人员提供参考。 相似文献
75.
路振华 《贵州工业大学学报(自然科学版)》2007,36(2):15-19
运用理想点法来构造评价函数,将求解多目标规划问题转化为求解单目标规划问题得出最优解,以毕节地区1997年到2005年土地利用结构变化为实例。研究结果表明:“理想点法”能反映出历年土地利用结构变化间的细微差别,为使土地利用寓于社会经济发展和维持生态系统平衡之中,最终谋求社会、经济、生态三效益的统一提供有价值的参考。 相似文献
76.
《科学通报(英文版)》2008,(11)
Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse. 相似文献
77.
78.
The shock structure problem is one of the classical problems of fluid mechanics and at least for non-reacting dilute gases it has been considered essentially solved. Here we present a few recent findings, to show that this is not the case. There are still new physical effects to be discovered provided that the numerical technique is general enough to not rule them out a priori. While the results have been obtained for dense fluids, some of the effects might also be observable for shocks in dilute gases. 相似文献
79.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex
[MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with
release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of
the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008. 相似文献
80.
In order to study cross flow induced vibration of heat exchanger tube bundles, a new fluid–structure interaction model based on surface vorticity method is proposed. With this model, the vibration of a flexible cylinder is simulated at Re=2.67 × 104, the computational results of the cylinder response, the fluid force, the vibration frequency, and the vorticity map are presented. The numerical results reproduce the amplitude‐limiting and non‐linear (lock‐in) characteristics of flow‐induced vibration. The maximum vibration amplitude as well as its corresponding lock‐in frequency is in good agreement with experimental results. The amplitude of vibration can be as high as 0.88D for the case investigated. As vibration amplitude increases, the amplitude of the lift force also increases. With enhancement of vibration amplitude, the vortex pattern in the near wake changes significantly. This fluid–structure interaction model is further applied to simulate flow‐induced vibration of two tandem cylinders and two side‐by‐side cylinders at similar Reynolds number. Promising and reasonable results and predictions are obtained. It is hopeful that with this relatively simple and computer time saving method, flow induced vibration of a large number of flexible tube bundles can be successfully simulated. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献