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21.
本文提出一种利用材料Hugoniot数据研究高压下离子晶体中微观离子状态及其离子间排斥作用势的新方法。对氢化锂晶体进行研究时,我们得到Li~+和H~-离子之间排斥作用势函数,结果表明文献〔1〕中提出的离子压缩效应具有客观性。 相似文献
22.
Low-threshold, high-efficiency, high-repetition-rate optical parametric generator based on periodically poled LiNbO3
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We report a high-repetition-rate optical parametric generator (OPG) with a periodically poled lithium niobate (PPLN) crystal pumped by an acousto-optically Q-switched CW-diode-end-pumped Nd:YVO_4 laser. For the maximum 1064nm pump power of 970mW, the maximum conversion efficiency is 32.9% under the conditions of 250℃, 1064nm pulse repetition rate of 22.6kHz and pulse width of 12ns, and the PPLN OPG threshold in the collinear case is less than 23.7μJ. The output power increases with the increase of the crystal temperature. The 1485-1553nm signal wave and 3383-3754nm idler wave are obtained by changing the temperature and the angle of the PPLN crystal. 相似文献
23.
《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
24.
A. Deptuła T. Olczak W. Łada B. Sartowska A.G. Chmielewski C. Alvani P.L. Carconi A. Di Bartolomeo F. Pierdominici S. Casadio 《Journal of Sol-Gel Science and Technology》2003,26(1-3):207-212
Microspheres of Li2TiO3 were fabricated by a classical, inorganic sol-gel process from commercially available TiCl4. Elaborated process consists of the following main steps: (1) dissolving of TiCl4 in concentrated aqueous HCl and addition of LiOH; (2) formation of sol emulsion in 2-ethylhexanol-1 containing the surfactant SPAN-80 (EH); (3) gelation of emulsion drops by extraction of water with partially dehydrated EH; (4) impregnation of gel to Li:Ti molar ratio MR = 2; (5) thermal treatment at 1200°C in order to receive chloride free product. This temperature can be significantly lowered (to 750°C) by dechlorination starting solution TiCl4 by chemical treatment of the with nitric acid to form of nitrate-stabilized titania sols. Tritium release from sol-gel made Li2TiO3 microspheres were found very close to that observed for other traditional materials, however for the first sample process starts slightly earlier. 相似文献
25.
《科学通报(英文版)》2008,(9)
The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively. 相似文献
26.
27.
G. F. Brand 《International Journal of Infrared and Millimeter Waves》2006,27(11):1445-1456
In this paper we evaluate methods for calculating dispersion relations for waves with wavelengths of the order of hundreds
of nanometres propagating in square waveguides with imperfectly conducting walls. The methods considered here are based on
those used previously for rectangular dielectric waveguides. 相似文献
28.
The method of condensed matter physics is applied to reason out the problem of Na transport through a biological membrane.
A similiarity of gating process in Na ion channel to the superionic phase transition is discussed. A possible microscopic
mechanism is suggested. 相似文献
29.
用自由生长系统研究了三硼酸锂LiB_3O_5(LBO)晶体的实际生长形态。实验表明,它的各晶面簇的重要性的顺序为:{110}>{011}>{201}>{111}。讨论了LBO晶体的生长习性与内部结构之间的关系并应用负离子配位多面体理论模型解释了LBO晶体的生长形态。 相似文献
30.
The solid diffusion coefficient of lithium-ion in LiCoO2 cathode material has been investigated by the capacity intermittent titration technique (CITT) at different voltages and at different charge/discharge cycles. By SEM, XRD and FTIR techniques, the structure of LiCoO2 was studied before and after charge-discharge cycles, and the relationship between solid diffusion coefficient and crystal structure was further discussed. CITT results show that the value of Li+ solid diffusion coefficient of LiCoO2 is about 10-12 cm2·s-1. During the whole charge-discharge cycles, the Li+ solid diffusion coefficient decreased within the voltage of 4.0~4.3 V, which is attributed to the change of the structure of LiCoO2. 相似文献