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Magnetic properties of several potential rocksalt half-metallic ferromagnets based on the first-principles calculations 下载免费PDF全文
Several rocksalt Sr4X3N (X=,O, S, Se, and Te) are predicted to be potential half-metallic ferromagnets free of transition-metal and rare-earth elements by performing the first-principles calculations. Then their magnetic properties, such as the half metallicity and the crystal-cell magnetic moments are investigated. The Sr4X3N possibly have higher Curie temperatures and have more stable half metallicity than the Sr4X3C. Their crystal-cell magnetic moments are all 1.00 μB. The crystal-cell magnetic moments and the half metallicity arise mainly from the N ions. The main mechanism is the strong covalent interaction leading to the sp2 hybridized orbitals in the Sr4X3N. Then two Sr-5s and three N-2p electrons enter into three sp2 hybridized orbitals. Among these five electrons, four electrons are paired and one is unpaired, so there are three spin-up electrons and two spin-down electrons in these sp2 hybridized orbitals. 相似文献
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Separate spatial soliton pairs in a biased series centrosymmetric photorefractive crystal circuit 总被引:1,自引:0,他引:1
It is shown theoretically that three types of separate soliton pairs: bright-bright, bright-dark, and dark-dark, can be established in a biased series circuit consisting of two centrosymmetric photorefractive crystals and the two solitons in a separate soliton pair can affect each other by the light-induced current. The effects of the intensities of soliton beams and background lights on the normalized profiles of solitons are discussed. 相似文献
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Miniussi E Pozzo M Baraldi A Vesselli E Zhan RR Comelli G Menteş TO Niño MA Locatelli A Lizzit S Alfè D 《Physical review letters》2011,106(21):216101
We report on a novel approach to determine the relationship between the corrugation and the thermal stability of epitaxial graphene grown on a strongly interacting substrate. According to our density functional theory calculations, the C single layer grown on Re(0001) is strongly corrugated, with a buckling of 1.6 ?, yielding a simulated C 1s core level spectrum which is in excellent agreement with the experimental one. We found that corrugation is closely knit with the thermal stability of the C network: C-C bond breaking is favored in the strongly buckled regions of the moiré cell, though it requires the presence of diffusing graphene layer vacancies. 相似文献
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X.?ZhouEmail author J.?Luo X.?Sun X.?Zeng M.?Zhan S.?Ding M.?Liu 《Applied magnetic resonance》2004,26(3):327-337
Radiation damping is generally observed when a sample with high spin concentration and high gyromagnetic ratio is placed in a high magnetic field. However, we firstly observed liquid-state129Xe radiation damping with laser-enhanced nuclear polarization at low magnetic field in a flow system in which the polarization enhancement factor for the liquid-state129Xe was estimated to be 5000, and, furthermore, theoretically simulated the envelopes of the129Xe free induction decay and spectral lineshape in the presence of both relaxation and radiation damping with different pulse flip angles and ratios ofT 2 * /T rd. The radiation damping time constantT rd of 5 ms was derived on the basis of the simulations. The reasons of depolarization and the further possible improvements were also discussed. 相似文献
46.
Chaojun Liu Xiaojun Liu Qin Wang Liang Zhan Rui Zhang Wenming Qiao Licheng Ling 《Applied Surface Science》2008,254(21):6701-6705
Surface chemistry of pitch-based spherical activated carbon (PSAC) was modified by chemical vapor deposition of NH3 (NH3-CVD) to improve the adsorption properties of uric acid. The texture and surface chemistry of PSAC were studied by N2 adsorption, pHPZC (point of zero charge), acid-base titration and X-ray photoelectron spectroscopy (XPS). NH3-CVD has a limited effect on carbon textural characteristics but it significantly changed the surface chemical properties, resulting in positive effects on uric acid adsorption. After modification by NH3-CVD, large numbers of nitrogen-containing groups (especially valley-N and center-N) are introduced on the surface of PSAC, which is responsible for the increase of pHPZC, surface basicity and uric acid adsorption capacity. Pseudo-second-order kinetic model can be used to describe the dynamic adsorption of uric acid on PSAC, and the thermodynamic parameters show that the adsorption of uric acid on PSAC is spontaneous, endothermic and irreversible process in nature. 相似文献
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基于传输速率方程,对Ho3+:ZBLAN光纤激光器的动态特性--上能级粒子数以及输出激光功率的弛豫振荡特性进行了数值分析.通过忽略光纤参数对传输方向的依赖性,抽运光和信号光的功率传输方程被分别简化处理.结果表明,在5I6能级的粒子数首先经历一次弛豫振荡后,5I6和5I7能级的粒子数交替弛豫振荡并达到稳态;同样,在3μm波长的激光功率首先经历一次弛豫振荡后,3μm和2μm波长的激光功率交替弛豫振荡并达到稳态,而且,弛豫振荡时的峰值功率远大于稳态时的激光功率. 相似文献
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