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151.
A.L. Dobryakov J.L. Prez Lustres S.A. Kovalenko N.P. Ernsting 《Chemical physics》2008,347(1-3):127-138
Femtosecond transient UV/vis absorption spectra of molecules in solution show vibronic structure initially while pump and probe pulses overlap, superimposed on bands which broaden and shift on several time scales. Third-order perturbation theory is used simulate and understand such spectra under experimental conditions, i.e., with chirped pump pulses and 40–80 fs pump/probe correlation time. The electronic system is coupled to a solvent bath whose fluctuations enter through a lineshape function g(t). This approach has two advantages. (i) In the general case when g(t) is modelled realistically it provides a distinction of coherent and sequential contributions to early transient spectra. The time-zero stimulated emission band can be extracted, giving access to the relaxation function for the emission frequency. (ii) For limiting forms of g(t) corresponding to the Bloch approximation and to inhomogeneous broadening the threefold time integrals underlying the theory reduce to a single integral. In such cases the lineshape formulation of transient absorption spectra can be used for data fitting. 相似文献
152.
M. Schocker 《Journal of Algebraic Combinatorics》2008,28(1):231-234
We define the notion of weakly ordered semigroups. For this class of semigroups, we compute the radical of the semigroup algebras.
This generalizes some results on left regular bands and on 0- Hecke algebras. 相似文献
153.
A new type of crisis is shown to exist in a broad class of systems (including the Lorenz model) which leads to an anomalous band splitting or to a symmetry-breaking bifurcation of the strange attractor, depending on the actual values of the control parameters. A piecewise linear model is used to understand the mechanism of this crisis and to obtain exact results. 相似文献
154.
SrBi2Nb2O9 (SBN) thin films were prepared on fused quartz substrates at room temperature by pulsed laser deposition. The influence of deposition parameters such as target-to-substrate distance, oxygen pressure and annealing temperature on film crystallization behavior was investigated by X-ray diffraction. Results indicated that the films grown at the optimum processing conditions have polycrystalline structure with a single layered perovskite phase. The optical transmittance of the films prepared at various oxygen pressures was measured in the wavelength range 200–900 nm using UV–vis spectrophotometer. The results showed that there is a red shift in the optical absorption edge with a rise in the oxygen pressure. Refractive index as a function of wavelength and optical band gap of the films were determined from the optical transmittance spectra. The results indicated that the refractive index increases with increasing oxygen pressure at the same incident light wavelength, while the band gap reduces from 4.13 to 3.88 eV. It may be attributed to an increase in packing density and grain size, and decrease in oxygen defects. 相似文献
155.
156.
A. Šimůnek J. Vackář K. Kunc J. Hutter 《The European Physical Journal B - Condensed Matter and Complex Systems》2000,14(2):245-249
A soft, norm-conserving pseudopotential for carbon is presented and its performance tested by calculations on atomic states
and on diamond: electronic energy levels of different atomic configurations, equilibrium lattice constant, bulk modulus, and
the TA(X) frozen-phonon frequency are accurately reproduced. Convergence of the total energy of diamond with the size of the
plane-wave basis set is compared for several frequently used pseudopotentials, and it is shown that calculations with the
reported pseudopotential can be performed at considerably lower cost than with the other norm-conserving pseudopotentials,
without loosing the accuracy of the latter in predicting structural and dynamical properties. The rapid convergence of the
results with the plane-wave cutoff is comparable to the performance of the Vanderbilt's ultrasoft pseudopotentials. The transferability
of the pseudopotential to other electronic configurations is discussed.
Received 8 September 1999 相似文献
157.
A. Chatterjee A. Sarkar Sourav Bhattacharya P. Mukherjee N. Gayathri P. Barat 《Physics letters. A》2008,372(22):4016-4020
Tensile tests were carried out by deforming polycrystalline samples of substitutional Al–2.5%Mg alloy at room temperature for a range of strain rates. The Portevin–Le Chatelier (PLC) effect was observed throughout the strain rate regime. The deformation bands in this region are found to be of type A in nature. From the analysis of the experimental stress time series data we could infer that the dynamics of type A dislocation band propagation is a Markov process. 相似文献
158.
Band structure parameters such as the conduction band edge, the valence band edge and the quasi‐particle gap of diffusing CdSe quantum dots (Q‐dots) of various sizes were determined using cyclic voltammetry. These parameters are strongly dependent on the size of the Q‐dots. The results obtained from voltammetric measurements are compared to spectroscopic and theoretical data. The fit obtained to the reported calculations based on the semi‐empirical pseudopotential method (SEPM)—especially in the strong size‐confinement region, is the best reported so far, according to our knowledge. For the smallest CdSe Q‐dots, the difference between the quasi‐particle gap and the optical band gap gives the electron–hole Coulombic interaction energy (Je1,h1). Interband states seen in the photoluminescence spectra were verified with cyclic voltammetry measurements. 相似文献
159.
Yue‐Qi Mo Xian‐Yu Deng Xi Jiang Qiu‐Hong Cui 《Journal of polymer science. Part A, Polymer chemistry》2009,47(13):3286-3295
Poly(3,6‐silafluorene) is a typical wide band‐gap conjugated polymer with ultraviolet light emission. The blue electroluminescence from the 3,6‐silafluorene‐based copolymers via intrachain energy transfer was reported in this study. The monomer containing vinylene, anthracene, and tri‐arylamine moieties incorporated into the poly(3,6‐silafluorene) backbone can form efficient deep‐blue emitting copolymers with EL efficiency of 1.1–1.9%. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3286–3295, 2009 相似文献
160.
M. Manekar S. B. Roy 《The European Physical Journal B - Condensed Matter and Complex Systems》2008,62(1):19-25
We investigate the electronic structure of
Sr2FeMoO6/SrTiO3 (SFMO/STO) multilayers using the
ab initio Full Potential Linearized Augmented Plane Wave
method in order to study their properties within the GGA and GGA+U methods. We examin more especially the role of the interface
on the magnetic and transport properties of these multilayers taking into account a possible Fe deficiency at the interface
and we show that bulk behaviour is rapidly recovered due to the strong localization of
the interfacial perturbation. For perfect interfaces, the whole structure is found half-metallic within the GGA+U method;
the situation
being ambiguous within the GGA method where SFMO is at the limit of being half-metallic depending on the structural deformation
induced by the STO layer. This leads us to the conclusion that such a system could be used as injection electrode and tunnel
barrier in magnetic tunnel junctions with a fully spin polarized injected current.
For Fe deficient interfaces, we show that the interfacial densities of states are nearly unpolarized showing that this kind
of
imperfection has potentially a strong impact on the properties
of the multilayers. 相似文献