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91.
The time-dependent density functional theory (TDDFT) was applied in conjunction with the natural bond orbital analysis to examine the UV-Vis properties of 10 phenolic Schiff bases. The calculations were performed with different functionals, but main discussion refers to results obtained at the B3LYP/6-311+G(d,p) level of theory. The approach based on the natural localised molecular orbital clusters indicates similar behaviour for majority of examined compounds. The HOMO (“highest occupied molecular orbital”) cluster is delocalised over the ring which is electron richer, the HOMO-1 cluster is spread over the other ring, whereas the LUMO (“lowest unoccupied molecular orbital”) cluster is situated on the imino group. The two bands at long wavelengths correspond to the HOMO → LUMO and HOMO-1 → LUMO transitions, i.e. from both A and B rings to the imino group. The next band originates from a transition from the imino group to the imino group. The band at the smallest wavelengths originates from a transition from the A ring to the A ring, or from the B ring to the B ring. Our findings are in very good agreement with the existing literature data.  相似文献   
92.
A series ofc-axis oriented YBa2Cu3O x -films with different oxygen content were prepared by laser deposition. The oxygen contentx was determined by X-ray diffraction and by resonant Rutherford-back-scattering (RRBS) measurements. Thec-axis length in these films of YBa2Cu3O x is about 0.5% larger compared to bulk values. We describe transport measurements in magnetic fields up to 7 Tesla between room temperature andT c in samples with an oxygen content between the orthorhombic-to-tetragonal transition (x6.4) and full oxygenation (x7). The ratio /R H was investigated with respect to the two-dimensional Luttinger liquid theory and the model of the two-dimensional ionic metal. We report on deviations from the expected quadratic temperature behaviour of /R H , especially in films with high oxygen content.  相似文献   
93.
A method of simulating the contour of the asymmetric spectral lines of neutral nonhydrogen-like atoms in a plasma is suggested. The methods of nonlinear regression are used to approximate the experimental data by a model function. The method has been checked on the spectral lines emitted by the electric arc stabilized by the walls. The method makes it possible to evaluate the Stark parameters directly from the experimentally obtained shapes of isolated or overlapping spectral lines.  相似文献   
94.
Measurements of Ar ion laser excited Rayleigh-Brillouin spectra of liquid phytol-carbontetrachloride and phytoltoluene mixtures were performed and used to calculate the hypersonic velocities. Therefrom it seems that the behaviour of the solutions is close to “ideal”.  相似文献   
95.
The marine mussel Mytilus galloprovincialis lives attached to the surface of hard substrata, where its exposure and relative immobility allow it to record changes in ambient seawater. It is also found along the eastern coast of the Adriatic Sea. Oxygen and carbon isotopes were analysed for calcite and aragonite in separate shell layers, while major, minor and trace elements in the bulk shell were analysed to evaluate environmental conditions such as the temperature of carbonate deposition, freshwater influence and locations of anthropogenic pollution. We found that, on average, aragonite is enriched by 1.1‰ in (13)C and by 0.2‰ in (18)O compared with calcite. The calculated temperatures for M. galloprovincialis shell growth from the investigated area range from 13.4 to 20.9 °C for calcite and from 16.6 to 23.1 °C for aragonite. According to the δ(18)O and δ(13)C values of shell layers, we can separate the investigated area into three locations: those with more influence of freshwater, those with less influence of freshwater and those with marine environments. The highest concentrations of manganese, barium, boron, arsenic, nickel and chromium were observed in shells from Omis, Bacvice and Zablace (Central Adriatic) and Sv. Ivan (South Adriatic), where chemical and heavy industries are located and where sewage is known to be discharged into coastal areas. The highest concentrations of zinc, lead and copper were measured in samples from Pula, Rijeka and Gruz, where there are also ports in addition to industry.  相似文献   
96.
The CERN Axion Solar Telescope (CAST) has extended its search for solar axions by using (3)He as a buffer gas. At T=1.8 K this allows for larger pressure settings and hence sensitivity to higher axion masses than our previous measurements with (4)He. With about 1 h of data taking at each of 252 different pressure settings we have scanned the axion mass range 0.39 eV?m(a)?0.64 eV. From the absence of excess x rays when the magnet was pointing to the Sun we set a typical upper limit on the axion-photon coupling of g(aγ)?2.3×10(-10) GeV(-1) at 95% C.L., the exact value depending on the pressure setting. Kim-Shifman-Vainshtein-Zakharov axions are excluded at the upper end of our mass range, the first time ever for any solar axion search. In the future we will extend our search to m(a)?1.15 eV, comfortably overlapping with cosmological hot dark matter bounds.  相似文献   
97.
This study investigated how native language background interacts with speaking style adaptations in determining levels of speech intelligibility. The aim was to explore whether native and high proficiency non-native listeners benefit similarly from native and non-native clear speech adjustments. The sentence-in-noise perception results revealed that fluent non-native listeners gained a large clear speech benefit from native clear speech modifications. Furthermore, proficient non-native talkers in this study implemented conversational-to-clear speaking style modifications in their second language (L2) that resulted in significant intelligibility gain for both native and non-native listeners. The results of the accentedness ratings obtained for native and non-native conversational and clear speech sentences showed that while intelligibility was improved, the presence of foreign accent remained constant in both speaking styles. This suggests that objective intelligibility and subjective accentedness are two independent dimensions of non-native speech. Overall, these results provide strong evidence that greater experience in L2 processing leads to improved intelligibility in both production and perception domains. These results also demonstrated that speaking style adaptations along with less signal distortion can contribute significantly towards successful native and non-native interactions.  相似文献   
98.
The widespread use of gas discharge tubes (GDTs) and avalanche diodes for transient voltage suppression (TVS) in many cases results in their exposure to ionizing radiation. The aim of this paper is to investigate the influence of irradiation on these TVS devices’ characteristics, by exposing them to a combined neutron/gamma radiation field. Experimental results show that irradiation of TVS diodes causes a lasting degradation of their protective characteristics. On the other hand, GDTs exhibit a temporary change of performance. The observed effects are presented with the accompanying theoretical interpretations, based on the interaction of radiation with materials constituting the investigated devices.  相似文献   
99.
We show how an experimentally realized set of operations on a single trapped ion is sufficient to simulate a wide class of Hamiltonians of a spin-1/2 particle in an external potential. This system is also able to simulate other physical dynamics. As a demonstration, we simulate the action of two nth order nonlinear optical beam splitters comprising an interferometer sensitive to phase shift in one of the interferometer beam paths. The sensitivity in determining these phase shifts increases linearly with n, and the simulation demonstrates that the use of nonlinear beam splitters (n=2,3) enhances this sensitivity compared to the standard quantum limit imposed by a linear beam splitter (n=1).  相似文献   
100.
We report on the observation of the Ising quantum Hall ferromagnet with Curie temperature T(C) as high as 2 K in a modulation-doped (Cd,Mn)Te heterostructure. In this system field-induced crossing of Landau levels occurs due to the giant spin-splitting effect. Magnetoresistance data, collected over a wide range of temperatures, magnetic fields, tilt angles, and electron densities, are discussed taking into account both Coulomb electron-electron interactions and s-d coupling to Mn spin fluctuations. The critical behavior of the resistance "spikes" at T-->T(C) corroborates theoretical suggestions that the ferromagnet is destroyed by domain excitations.  相似文献   
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