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91.
Field electron emission microscope images from multi-walled carbon nanotubes can typically be characterized by the presence of five pentagons surrounding a sixth central pentagon. The observations of bright line centered interference patterns between adjacent pentagons in the field electron emission microscope images of multi-walled carbon nanotubes have been reported in the literature. We have observed a shift from bright to dark line centered interference patterns and associated this with the presence of surface adsorption. In order to identify the origin of the contaminant, multi-walled carbon nanotubes were dosed with H2, H2O, CO and O2 and then imaged in the field electron emission microscope. Only the samples exposed to O2 showed a shift from a bright line centered pattern between adjacent pentagons of a clean surface to a dark line centered pattern when one pentagon was contaminated or a bright line centered pattern when both adjacent pentagons become contaminated. The results of the experimental studies and the modeling of the changes in the field emission pattern as phase shifts in the wave function of the tunneling electrons due to modifications in the surface work function are presented. 相似文献
92.
We apply unrestricted Hartree-Fock to modelling two systems:
- (1)
- We calculate the spin structure and addition spectra of small symmetric quantum dots (often called 2D “artificial atoms”), improving the accuracy considerably by including, for the first time, second-order correlation corrections. We compare the results to experiment and to previous numerical works, and find that our spin structure in some cases disagrees with that calculated within mean-field theories, such as Hartree-Fock without correlation corrections, or density-functional theory [C. Sloggett, O.P. Sushkov, Phys. Rev. B 71 (2005) 235326].
- (2)
- We model the well-known 0.7 anomaly in the conductance of a quantum point contact. We calculate the conductance using direct calculation of scattering phases on a ring, within Hartree-Fock. We observe strong localisation of the Fermi electrons on the barrier, and suggest a mechanism for the observed temperature-dependent conductance anomaly.
93.
The structural and electronic properties of fully-relaxed PbTiO3 (0 0 1) oxygen-vacancy surface with PbO and TiO2 terminations are investigated by first-principles calculations. In contrast to the perfect surface, the smaller surface rumples and interlayer distances have been found. The largest relaxation occurs on the second layer atoms not on the surface layer ones, and some in-gap Ti 3d states at about −1.1 eV below the Fermi-level are observed in the TiO2-terminated surface caused by oxygen-vacancies. For the PbO-terminated surface, some in-gap Ti 3d states and Pb 6p states also move into the bulk midgap region to become partially occupied, and two different chemical states of the Pb 6s states were found. One is attributed to the bulk perovskite Pb atoms and another one is caused by the relaxation of surface Pb atoms. These theoretical results would give a good reference for the future experimental studies. 相似文献
94.
The lithium ion conducting solid polymer electrolytes (SPE) based on PVAc-LiClO4 of various compositions were prepared by solution casting technique. Structure and surface morphology characterization were studied by X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM) measurements, respectively. Thermal and conductivity behavior of polymer-salt complexes were studied by employing differential scanning calorimetry (DSC) and ac impedance measurements, respectively. XRD and SEM analyses indicate the amorphous nature of the polymer-salt complexes. DSC measurements show decrease in Tg with the increase in LiClO4 concentrations. The bulk conductivity of the PVAc:LiClO4 polymer electrolytes was found to vary between 7.6×10−7 and 6.2×10−5 S cm−1 at 303 K with the increase in salt concentration. The temperature dependence of the polymer electrolyte complexes appear to obey Arrhenius law. 相似文献
95.
96.
为提高衍射效率,设计并制作了口径为300mm的衍射成像系统.该系统的物镜是由一块四台阶位相型菲涅尔波带片通过激光直写套刻和Ar离子束物理刻蚀技术在石英玻璃基板上加工而成.测试了衍射物镜的衍射效率,实验结果表明:衍射物镜在波长632.8nm处的衍射效率为66.4%,达到理论值的82%.搭建了衍射成像系统光路,分别采用10μm星点孔与分辨率板,测试了系统的成像性能.实验测得星点像直径为44μm,分辨率板的极限分辨率达到84lp/mm,接近该系统的理论计算值,表明该衍射成像系统具有较好的成像性能. 相似文献
97.
The spin-Hamiltonian parameters (g-factors g//, g⊥ and hyperfine structure constants A//, A⊥) of the square-planar CuS6 ?4 clusters in Cu(II)–bis [4-ethoxphenyl-O-alkyl]-dithiophosphonate complexes are computed with the high-order perturbation formulas based on the two-mechanism model. The model includes the contributions to spin-Hamiltonian parameters from the vastly-utilised crystal-field (CF) mechanism concerning the CF excited states and the generally-omitted charge-transfer (CT) mechanism due to CT excited states. The energy levels of CF and CT excited states needed in the calculation are obtained from the observed optical spectra. The calculated results are in rational accordance with the experimental values. The signs of constants A// and A⊥ are suggested and the reasons of the very small g-shifts |?gi| (= | gi ? ge |, where ge ≈ 2.0023 and i = // or ⊥) are discussed. 相似文献
98.
室温,常压下,利用Nd∶YAG脉冲激光器产生的波长为1 064 nm, 脉宽12 ns,能量分别180, 230和280 mJ的脉冲激光冲击Ti靶,使用中阶梯光栅光谱仪检测了三种激光能量下对应的光谱。调节延时器DG645的延迟时间,检测了延迟0~500 ns时间范围内Ti等离子体对应激光能量下的发射光谱,分析光谱,可以得到了九条不同的的TiⅠ 和TiⅡ等离子体谱线,证明在该实验条件下,Ti靶能够充分吸收能量电离且离子谱线具有不同的演化速率,利用Saha-Boltzmann法计算并分析Ti等离子体电子温度,实验结果表明:相同的延迟时间,激光能量越大,谱线相对强度越大,电子温度越高,谱线相对强度的变化量随激光能量的变化量增大而增大;在延时0~150 ns内,三种激光能量下的等离子体电子温度和谱线的相对强度都随延迟时间的增加而快速下降,其中280 mJ激光能量下的等离子体电子温度和谱线强度下降速率较快;在150~250 ns范围内,电子温度和谱线强度均随延迟时间的增加有一个缓慢的上升,180 mJ激光能量下的等离子体电子温度和谱线强度的上升速率较快。250~500 ns范围内,三种激光能量下的电子温度和谱线强度均随延迟时间的增加而缓慢下降。 相似文献
99.
Oxygen nonstoichiometry (δ), total conductivity (σ) and thermoelectric power (S) of the LaFe0.7Ni0.3O3 − δ sample have been studied as functions of temperature and oxygen partial pressure. Based on the results of the direct reduction of the sample in hydrogen flow at 1100 °C the absolute oxygen content (3 − δ) has been found to vary from 2.999 to 2.974 in the range of 1273-1373 K and 10− 3-0.21 atm. The point defect equilibrium models have been proposed and fitted to the set of experimental data in the form of log p(O2) = f(δ)T dependences. The values of standard thermodynamic quantities of defect formation reactions have been assessed. The joint analysis of oxygen nonstoichiometry, total conductivity and thermoelectric power has been performed using a small-polaron approach. The values of partial conductivity, partial thermopower and mobilities of electronic charge carriers have been calculated. The p-type semiconducting behavior of LaFe0.7Ni0.3O3 − δ has been explained by the higher mobility values of electron holes than those of electrons in the whole range of thermodynamic parameters studied. 相似文献
100.