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211.
Duy Duc Nguyen Lina Nakhimovsky Jens Spanget-Larsen 《Journal of Molecular Spectroscopy》2010,264(1):19-25
A comparative study of the electronic transitions of fluorene and its hetero-analogues dibenzofuran, carbazole, and dibenzothiophene was performed in a wide energy range. Gas phase, crystal phase, and linear dichroism electronic transmittance spectra were measured with synchrotron radiation. Electronic transitions to excited singlet states were predicted with time-dependent density functional theory, TD-B3LYP/6-31+G(d,p). Based on the experimental and theoretical results, symmetry assignments of electronic transitions in the vacuum and near-UV region are suggested. The correspondence between excited states in these molecules, similarities, and differences between their electronic spectra are discussed. 相似文献
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The wettability of calcite cubes was tuned by varying the sizes of the polystyrene nanoparticles attached to their surfaces via a dispersion polymerization. The products were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), energy dispersion spectrum (EDS) and Fourier transformation infrared spectrum (FTIR). The results showed that the hydrophobicity of the calcite cubes was enhanced with the increase of the size of the polystyrene nanoparticles attached. Using polystyrene nanoparticle-attached calcite cubes (PNACC) as emulsifiers, stable water-in-tricaprylin Pickering emulsions were produced. By gelling the water droplets of the Pickering emulsions, the hierarchical structures of polystyrene nanoparticle-attached calcite cube-armored microspheres were obtained. The polystyrene nanoparticle-attached calcite cubes were expected to have novel surface properties similar neither to traditional Pickering particles, nor to macroscopically asymmetrical Janus particles. 相似文献
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Some photonic crystals (PCs) consisting of complex lattices of dielectric cylinders can have an effective refraction index (neff) of −1. Subwavelength imaging by a slab of a honeycomb PC of dielectric cylinders with neff=−1 is investigated and an open resonator with a quality factor higher than 3000 is designed with the same PC. Air–PC interfaces with low reflection are also used for the slab lens and open resonator. 相似文献
216.
Interplay between out-of-plane magnetic plasmon and lattice resonance for modified resonance lineshape and near-field enhancement in double nanoparticles array 下载免费PDF全文
Two-dimensional double nanoparticle (DNP) arrays are demonstrated theoretically, supporting the interaction between out-of-plane magnetic plasmons and in-plane lattice resonances, which can be achieved by tuning the nanoparticle height or the array period due to the height-dependent magnetic resonance and the periodicity-dependent lattice resonance. The interplay between the two plasmon modes can lead to a remarkable change in resonance lineshape and an improvement on magnetic field enhancement. Simultaneous electric field and magnetic field enhancement can be obtained in the gap region between neighboring particles at two resonance frequencies as the interplay occurs, which presents “open” cavities as electromagnetic field hot spots for potential applications on detection and sensing. The results not only offer an attractive way to tune the optical responses of plasmonic nanostructure, but also provide further insight into the plasmon interactions in periodic nanostructure or metamaterials comprising multiple elements. 相似文献
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Random-phase approximation (RPA) correlation methods based on Kohn–Sham density-functional theory and Hartree–Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn–Sham framework while for Hartree–Fock reference states this is not the case. This shows that Kohn–Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree–Fock reference states. Both, Kohn–Sham and Hartree–Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules. 相似文献
219.
In this article, we report that by using the intensity ratio of the (2-2) to (1-2) component of CI emission lines at about 165.7 nm, we determined the optical depth at the line center of the (2-2) component of CI emission lines by escape factor treatment. The optical depth at the line center of the (2-2) component is calculated to be 0.9998, which is a more reasonable value of solar spectral lines than the value that has been reported. The variation of the optical depth at the line center for different positions from the solar limb is discussed. Using the measured abundance of carbon and the results of ionization balance calculations, we estimate the electron density in the CI emitting region. The density of hydrogen is estimated in the CI emitting region by this method, and is testified to be a better value than the value that has been reported. This discussion will be significant in the analysis of opacity on the solar ultraviolet (UV) or extreme-ultraviolet (EUV) spectrum. 相似文献
220.