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1.
W.F. Wang 《Journal of Quantitative Spectroscopy & Radiative Transfer》2004,86(4):437-444
It is shown that by including the second term of Magnus expansion, improved convergence can be achieved for the non-perturbative pressure broadening formalism proposed by Neilson and Gordon (J. Chem. Phys. 58 (1973) 4131). The present method was applied to the line broadening calculations of CO in a bath of Ar. 相似文献
2.
Jean-Marcel Colmont François Rohart Jean-Pierre Bouanich 《Journal of Molecular Spectroscopy》2006,238(1):98-107
Extensive experiments on the K = 3 component of the J = 12-11 rotational transition of acetonitrile CH3C14N, located near 220.7 GHz, were performed at different temperatures in the range 235-350 K. They allow determining the N2-, H2-, and He-broadening coefficients, as well as their temperature dependences. More specific measurements on all the K-components of the involved transition perturbed by N2 at 303 K allow to point out a clear decreasing of the broadening coefficient with increasing K. Narrowing effects are clearly observed, and experimental lines were analysed both with Voigt and speed dependent Voigt profiles; but no exhaustive lineshape study was carried out. All the experimental parameters are compared with results derived from a semiclassical calculation of collisional interactions, including electrostatic, induction, and dispersion energy contributions. 相似文献
3.
Tracks made in minerals by the electronic stopping of uranium fission fragments provide a modern geological dating tool, and are believed also to yield specific information on the low-temperature thermal history of rocks. Experimental work showing that the damaged crystal lattice along a fission track recovers primarily as a function of temperature ignored the fact that the basic theory of atomic diffusion requires an exponential decrease in the intrinsic diffusion coefficient with increasing pressure. Here, fission track recovery was experimentally investigated in basic apatite under the simultaneous influences of temperature, pressure and stress. We show that track fading is a complex recovery mechanism responding to several environmental physical parameters simultaneously. In particular a strong decrease in the track recovery rate was observed as a function of increasing pressure. And a nearly temperature-independent recovery was observed in samples under stress. 相似文献
4.
5.
Naoya Inazumi Shunzo Yamamoto Yoshimi Sueishi 《Journal of inclusion phenomena and macrocyclic chemistry》2007,59(1-2):33-39
The inclusion complexation of p-sulfonatocalix[6]arene (Calix-S6) with three kinds of phenothiazine dyes was studied spectrophotometrically in a mixture
of a room-temperature ionic liquid [bmim]BF4 (1-butyl-3-methylimidazolium tetrafluoroborate) and ethanol. We have determined the association constants of Calix-S6 with
phenothiazine dyes under external static pressure up to 767 bar in the [bmim]BF4-ethanol and alcohol-water mixtures. With increasing external pressure, the inclusion equilibrium in the alcohol-water mixtures
was shifted to the dissociation side. Conversely, the inclusion equilibrium of methylene blue (MB) and azure A (AA) in the
ionic liquid mixture was shifted to the association side. From the analysis of the pressure effects, the reaction volumes
ΔV for inclusion complexation were estimated as −7 to 9 cm3 mol−1 in the [bmim]BF4-ethanol mixture and 20–32 cm3 mol−1 in the alcohol-water mixtures. Based on the results, we have suggested that there is a competing complexation between the
included dye and [bmim]BF4 molecules in the ionic liquid. 相似文献
6.
Rao DP Sivakumar SV Mandal S Kota S Ramaprasad BS 《Journal of chromatography. A》2005,1069(1):141-151
The separation of propylene-propane mixture is an energy intensive operation commercially practiced using cryogenic distillation. The separation by pressure swing adsorption has been studied as an alternative. A fixed-bed pressure swing adsorption yields the heavy component as a pure product. The product recovery and the productivity are not high. In a moving-bed process, because of the counter-current solid-gas contact, the separation achieved is similar to that of the fractionation by distillation. Although the moving-bed operation offers the upper limit for the performance of a cyclic adsorptive process, due to mechanical complexities in the handling of solids the 'simulated' moving-bed is preferred. By moving the inlet and outlet ports of streams located along the length of the bed, a moving-bed process can be realized in a fixed bed. We describe here a 'moving-port' system which permits injection or withdrawal of the fluid along the axial direction in a fixed bed. A fixed bed embedded with the moving-port systems emulates a simulated moving-bed adsorber. The proposed adsorber can fractionate a binary gas mixture into two product streams with high purities. It is similar to the Sorbex process of UOP but does not have the eluent as an additional separating agent. A parametric study indicates that high purity products and a higher productivity by an order of magnitude can be achieved with simulated moving-beds compared to the fixed beds. 相似文献
7.
Hans-Gerd Janssen Henri M. J. Snijders Jacques A. Rijks Carel A. Crarners Peter J. Schoenmakers 《Journal of separation science》1991,14(7):438-445
The effects of the pressure drop across the column on retention and efficiency in SFC have been studied. Numerical methods are described which enable the prediction of hold-up time and pressure drop in both packed and open tubular columns. Predictions of both hold-up time and pressure drop are in good agreement with experimental data. The density gradient along the column can be calculated using the numerical methods and a procedure is described which enables the calculation of the overall capacity factors of the solutes from the density profile in the column. Significant variations of the capacity factor are observed along the column. The effect of the density gradient along the column on local diffusivity and dispersion is studied. The column efficiency in systems with significant pressure drops is affected by changes in: the linear velocity of the mobile phase; the diffusion coefficients; and the capacity factors of the solutes along the column. The overall efficiency of the chromatographic system can be calculated if, as is the case for open tubular columns, adequate plate height equations are available. 相似文献
8.
Kenji Tonan Shun-ichi Ikawa 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》1997,53(14):2695-2700
Effect of pressure on conformational equilibria of a small peptide N-acetyl-l-Pro-l-Leu-Gly-NH2 in a chloroform solution has been studied by FTIR spectroscopy. Absorption in the NH stretching region was measured at pressures in the 1–1080 bar range and at 296 K, and decomposed into component bands by least-squares fitting. Intensity ratios of bands which were assigned to a hydrogen-bond-free conformer and intramolecularly hydrogen-bonded conformers with 10- and 13-membered hydrogen bonded rings, respectively, were examined as a function of pressure. It was found that the conformer with the 13-membered ring has definitely smaller partial molar volume than the other two conformers which have nearly the same volume with each other. On the basis of a simple dielectric model, we have shown that the conformer with the 13-membered hydrogen-bonded ring has a considerably large dipole moment which is consistent with the α-helical structure suggested by the previous variable-temperature FTIR study. 相似文献
9.
<正> 光敏氧化效率是由敏化剂分子吸收光量子数及其产生单重态氧的量子产率决定的,这要求敏化剂的吸收光谱同光源的发射光谱很好地匹配。本文报道竹红菌甲素匹配高压钠灯有效地产生单重态氧,高效光敏氧化一系列具有不同反应活性的底物,成为单重态氧化学中一个新的光敏氧化体系。 相似文献
10.
The densities of ethanol and ethanol–water mixtures were measured with a vibrating tube densimeter at 25.0, 50.0 and 75.0 °C in the pressure range from 0.10 to 40.00 MPa. Densities were correlated using an empirical model. Partial molar volumes, excess molar volumes, isothermal compressibilities, cubic expansion coefficients and internal pressures were calculated from obtained densities. This study reports the dependence of densities, partial molar volumes, excess molar volumes, isothermal compressibilities, cubic expansion coefficients and internal pressures on composition, temperature and pressure. 相似文献