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971.
Clément Falaise Dr. May Nyman 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(41):14678-14687
For 11 years now, the structural diversity and aesthetic beauty of uranyl–peroxide capsules have fascinated researchers from the diverse fields of mineralogy, polyoxometalate chemistry, and nuclear fuel technologies. There is still much to be learned about the mechanisms of the self‐assembly process, and the role of solution parameters including pH, alkali template, temperature, time, and others. Here we have exploited the high solubility of the UO22+/H2O2/LiOH aqueous system to address the effect of the hydroxide concentration. Important techniques of this study are single‐crystal X‐ray diffraction, small‐angle X‐ray scattering, and Raman spectroscopy. Three key phases dominate the solution speciation as a function of time and the LiOH/UO22+ ratio: the uranyl–triperoxide monomer [UO2(O2)3]4?and the two capsules [(UO2)(O2)(OH)]2424?(U24) and [(UO2)(O2)1.5]2828?(U28). When the LiOH/U ratio is around three, U28 forms rapidly and this cluster can be isolated in high yield and purity. This result was most surprising and challenges the hypothesis that alkali templating is the most important determinant in the cluster geometry. Moreover, analogous experiments with KOH, NH4OH, and TEAOH (TEA=tetraethylammonium) also rapidly yield U28, which suggests that U28 is the kinetically favored species. Complete mapping of the pH–time phase space reveals only a narrow window of the U28 dominance, which is why it was previously overlooked as an important kinetic species in this chemical system, as well as others with different counterions. 相似文献
972.
Consider the problem of scattering of electromagnetic waves by a doubly periodic Lipschitz structure. The medium above the structure is assumed to be homogenous and lossless with a positive dielectric coefficient. Below the structure there is a perfect conductor with a partially coated dielectric boundary. We first establish the well‐posedness of the direct problem in a proper function space and then obtain a uniqueness result for the inverse problem by extending Isakov's method. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
973.
Surface-enhanced Raman scattering active substrates were prepared by the chemical assembly of Co, Ni and Ag nanoparticles on 3-aminopropyltriethoxysilane-functionalized Al surface. Poly(2-vinylpyridine) films were also deposited on the Al substrates by electrochemical polymerization in aqueous solution. Raman intensities were measured with respect to pyridine. Although silver has very desirable physical properties, good relative abundance, and low cost, gold nanoparticles have been widely favored because of their proved stability and ease of use. Unlike gold, silver is notorious for its susceptibility to oxidation (tarnishing), which has limited the development of important silver-based nanomaterials. However, the substrates with poly(2-vinylpyridine) films were exceptionally stable as they produced spectra that did not change even after much more than one year. 相似文献
974.
The Raman and the infrared wavenumbers in the Aurivillius structure BaBi2Ta2O9 (BBT) having space group I4/mmm (no. 139-D4h17) are investigated using normal coordinate analysis. The calculation of zone center phonons incorporates seven stretching and seven bending force constants. The Raman and the infrared frequencies for BBT have been assigned for the first time in I4/mmm phase. The calculated Raman and infrared wavenumbers are in very good agreement with the observed ones. The potential energy distributions (PED) are also investigated for each normal mode in BBT and the contributions of different force constants to various frequencies are determined. 相似文献
975.
An analytic expression of the two-frequency mutual coherence function (MCF) was derived for a two-dimensional random rough
surface. The scattered field was calculated by the Kirchhoff approximation, which is valid in the case that the radius of
curvature of the surface is much larger than the incident wave length. The scattering problem of narrowband pulse was investigated
to simplify the analytic expression of the two-frequency MCF. Numerical simulations show that the two-frequency MCF is greatly
dependent on the root-mean-square (RMS) height, while less dependent on the correlation length. The analytic solutions were
compared with the results of Monte Carlo simulation to assess the accuracy and computational efficiency.
Supported by the National Natural Science Foundation of China (Grant No. 60571058) and the National Defense Foundation of
China (Grant No. 51403020505DZ0111) 相似文献
976.
Vladislav S. Olkhovsky Vittoria Petrillo Jacek Jakiel Wiesław Kantor 《Central European Journal of Physics》2008,6(1):122-127
The particle tunneling through a 3-D rectangular potential barrier has been studied. The simplest model for multiple internal
reflections has been assumed. The explicit expression for all the transmission and reflection probability amplitudes have
been derived, as well as the tunneling and reflection phase times.
相似文献
977.
G. Guillon T. Stoecklin A. Voronin 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2008,46(1):83-87
We compare the cross sections for the transitions changing the projection of
the total angular momentum of N2
+(2Σ) in collisions
with 3He and 4He at very low collision energy. The fundamental
states of the two nuclear spin isomers of N2
+ are considered as
well as the two fine structure levels of the first excited para level N=2.
It is shown that the two fundamental states of the two nuclear spin isomers
behave differently. For the fundamental para level N=0 of N2
+, the
projection changing cross section is always negligible compared to the
elastic one for both He isotopes. For the fundamental ortho level N=1 of
N2
+, the spin-rotation interaction couples the different spin
levels directly so the spin relaxation becomes a first order process. The
associated resonances increase the projection changing cross section which
remains smaller but becomes comparable with the elastic one. This is in
contrast with the excited rotational levels of N2
+, which for the
rotational deactivation and elastic channels are found to be equal around
the resonances for the collisions involving 3He. These two channels are
always larger than the projection changing one. We also find that, for
transitions involving the fundamental rotational state, the domain of
validity of the threshold laws discussed by Krems and Dalgarno [Phys. Rev. A 67, 050704 (2003)] for a potential decreasing faster than
1/r2 is shortened, due to the long range charge induced dipole potential.
This effect is illustrated for the collisions of 3He with the
fundamental para state of N2
+. 相似文献
978.
We study theoretically, by means of layer-multiple scattering techniques, the propagation of elastic waves through finite slabs of phononic crystals consisting of metallic spheres in polyester matrix, embedded in air. We focus on the study of modes localized on the surfaces of the structure, investigating the physical parameters which influence and determine their appearance. Our results reveal the existence of absolute phononic frequency gaps in these finite structures, and point out the possibility, under an appropriate choice of the parameters, of tunable regions of frequency free of propagating and/or surface-localized modes. This could be very useful in the design of devices related to frequency filtering, waveguiding, etc. 相似文献
979.
Y. Benmimoun A. Bouhemadou R. Khenata A. H. Reshak B. Amrani M. Ameri H. Baltache 《The European Physical Journal B - Condensed Matter and Complex Systems》2008,61(2):165-171
The results of first-principles theoretical study of the structural,
electronic and optical properties of SrCl2 in its cubic structure, have
been performed using the full-potential linear augmented plane-wave method
plus local orbitals (FP-APW+lo) as implemented in the WIEN2k code. In this
approach both the local density approximation (LDA) and the generalized
gradient approximation (GGA) are used for the exchange-correlation (XC)
potential. Also we have used the Engel-Vosko GGA formalism, which optimizes
the corresponding potential for band structure calculations. We performed
these calculations with and without spin-orbit interactions. Including
spin-orbit coupling cause to lifts the triple degeneracy at Γ point
and a double degeneracy at X point. Results are given for structural
properties. The pressure dependence of elastic constants and band gaps are
investigated. The dielectric function, reflectivity spectra and refractive
index are calculated up to 30 eV. Also we calculated the pressure and volume
dependence of the static optical dielectric constant. 相似文献
980.
The transient backscattering mechanisms of a dipole array with reflector have been investigated from different aspects: time-domain, frequency-domain, and combined time-frequency domain, using 4 × 8 dipole arrays with reflector as an example. The data of scattering from the arrays under the incidence of Gaussian pulses are obtained by finite differential time domain method. The influences of the array structural parameters, incident wave parameters, and incident angles on the waveforms, spectrum, and time-frequency representations of the backscattered fields of the arrays are analysed and conclusions are drawn. From these characteristics and conclusions, it is possible to deduce the array structure inversely from the backscattered field. 相似文献