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1.
2.
R. Chitra Pascal Roussel R. R. Choudhury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o547-o549
The title complex, 2CH4N2S·C4H6O4, is a host–guest system. The asymmetric unit consists of one complete thiourea molecule and one‐half of a dimethyl oxalate molecule lying on an inversion centre. The host thiourea molecules are connected to form zigzag chains by N—H⋯S hydrogen bonds. The guest dimethyl oxalate molecules provide O‐atom acceptors for N—H⋯O hydrogen bonds, thus interconnecting the chains of thiourea molecules to form completely connected sheets. The reduction in temperature from 300 to 100 K leaves the structure unchanged and still isostructural with that previously determined for the analogous thiourea–diethyl oxalate (2/1) complex. It does, however, induce closer packing of the molecules, general shrinkage of the unit cell and shortening of the hydrogen bonds, these last two to the extent of 1–2%. 相似文献
3.
Pascal Ferraro Christophe Godin 《Journal of Algorithms in Cognition, Informatics and Logic》2003,48(2):385-406
In this paper we consider the problem of finding a minimum cost mapping between two unordered trees which induces a graph with a minimum number of connected components. The proposed algorithm is based on the generalization of an algorithm for computing an edit distance between trees, and it solves the stated problem in sequential time precisely in O(|T1|×|T2|×(degT1+degT2)×log2(degT1+degT2)). 相似文献
4.
Pascal Noble 《Archive for Rational Mechanics and Analysis》2007,186(1):53-76
The phenomenon of roll-waves occurs when shallow water flows down open inclined channels. This flow is described by the Saint
Venant’s equations with a friction term due to Chezy. In the case of a flat bottom, their existence (as entropic and periodic
travelling waves) follows from a classical work due to DRESSLER [6].
The aim of this paper is to prove the existence of roll-waves when the bottom is modulated by a small periodic perturbation.
Following JIN and KATSOULAKIS [15], we first compute a Burgers-type equation which possesses “pulsating” roll-waves (the wave
speed oscillates around an average velocity). We prove, in a mathematically rigorous fashion, the existence of these solutions. 相似文献
5.
Hypersonic longitudinal sound velocities in five silicate and alumino-silicate liquids have been measured between 293 and 2550 K by Brillouin spectroscopy. Together with previous observations for four other glasses and liquids of the system SiO2-Al2O3-CaO-MgO, these results are used to discuss changes in hypersonic velocities in three adjacent temperature domains, i.e., below, in, and above the glass transformation range. The temperature dependence of Brillouin velocities is consistent with the observed variations with temperature of viscosity, density, and mean heat capacity for the same three temperature domains. These variations of physical properties of alumino-silicate liquids are qualitatively in agreement with the Inherent Structure Theory for liquids. 相似文献
6.
NH chemical shift temperature coefficients have been measured in a large series of N-substituted-3-piperidinethiopropionamides in which the NN distances are short but of varied length, as well as in a couple of the corresponding amides and in some simpler amides and thioamides. Geometries are calculated by means of ab initio DFT methods. The N-substituted-3-piperidinethiopropionamides show in most cases strong intramolecular N–HN hydrogen bonds according to IR spectra and ab initio calculations. For compounds with rather short NN distances the S=C–N–H moiety is non-planar. Dihedral angles as small as 160° are found. The NH chemical shift coefficients measured in non-polar solvents in all the N-substituted-3-piperidinethiopropionamides are more negative (−8 to −17 ppb/K) than in non-hydrogen bonded thioamides. For the latter in non-polar solvents like CDCl3 and toluene the temperature coefficients are as small as −1 to −4 ppb/K. The large negative effects can be related not only to the non-planarity of the thioamide group in a way that the more pronounced the non-planarity the more negative the temperature coefficients, but also to strong hydrogen bonding and the fact that the acceptor is a nitrogen. For similar amides with non-planar amide groups and nitrogen acceptor large negative temperature coefficients are likewise seen. In polar solvents like DMF the effects in simple thioamides are uniform and close to −6 ppb/K, whereas in the more complex compound like 4p(t) the temperature coefficient is close to 0. An essential feature of measuring temperature coefficients of compounds without strong intramolecular hydrogen bonds in non-polar solvents and at low temperatures is to keep the concentration low enough to avoid dimerisation. 相似文献
7.
A preconditioning approach based on the artificial compressibility formulation is extended to solve the governing equations for unsteady turbulent reactive flows with heat release, at low Mach numbers, on an unstructured hybrid grid context. Premixed reactants are considered and a flamelet approach for combustion modelling is adopted using a continuous quenched mean reaction rate. An overlapped cell‐vertex finite volume method is adopted as a discretisation scheme. Artificial dissipation terms for hybrid grids are explicitly added to ensure a stable, discretised set of equations. A second‐order, explicit, hybrid Runge–Kutta scheme is applied for the time marching in pseudo‐time. A time derivative of the dependent variable is added to recover the time accuracy of the preconditioned set of equations. This derivative is discretised by an implicit, second‐order scheme. The resulting scheme is applied to the calculation of an infinite planar (one‐dimensional) turbulent premixed flame propagating freely in reactants whose turbulence is supposed to be frozen, homogeneous and isotropic. The accuracy of the results obtained with the proposed method proves to be excellent when compared to the data available in the literature. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
8.
J. T. Hoeft M. Polcik D. I. Sayago M. Kittel R. Terborg R. L. Toomes J. Robinson D. P. Woodruff M. Pascal G. Nisbet C. L. A. Lamont 《Surface science》2003,540(2-3):441-456
The local adsorption geometry of CO adsorbed in different states on Ni(1 0 0) and on Ni(1 0 0) precovered with atomic hydrogen has been determined by C 1s (and O 1s) scanned-energy mode photoelectron diffraction, using the photoelectron binding energy changes to characterise the different states. The results confirm previous spectroscopic assignments of local atop and bridge sites both with and without coadsorbed hydrogen. The measured Ni–C bondlengths for the Ni(1 0 0)/CO states show an increase of 0.16 ± 0.04 Å in going from atop to bridge sites, while comparison with similar results for Ni(1 1 1)/CO for threefold coordinated adsorption sites show a further lengthening of the bond by 0.05 ± 0.04 Å. These changes in the Ni–CO chemisorption bondlength with bond order (for approximately constant adsorption energy) are consistent with the standard Pauling rules. However, comparison of CO adsorbed in the atop geometry with and without coadsorbed hydrogen shows that the coadsorption increases the Ni–C bondlength by only 0.06 ± 0.04 Å, despite the decrease in adsorption energy of a factor of 2 or more. This result is also reproduced by density functional theory slab calculations. The results of both the experiments and the density functional theory calculations show that CO adsorption onto the Ni(1 0 0)/H surface is accompanied by significant structural modification; the low desorption energy may then be attributed to the energy cost of this restructuring rather than weak local bonding. 相似文献
9.
Two thousand images of resolution 512×512 pixels as a regular matrix pattern of 10×10 elements are stored, where each element is angularly multiplexed 20 times in a 25 μm thickness of dichromated gelatin emulsion without cross-talk effect. The surface area of the matrix is 1 cm2. We show good concordance of the angular selectivity between the experimental result and theory. The diffraction efficiency of each 20 multiplexed images is measured and has nearly the same value. Examples of reconstructed images for multiple applications are given, for example, storage of 160,000 images on a 3′1/2 floppy disc format, which is about 100 min of black and white film. Application can be made to automobile cartography and storage of X-ray images as well as weather forecast images. Colored diffractive images are also possible and are illustrated. 相似文献
10.
The projective method for solving linear matrix inequalities 总被引:2,自引:0,他引:2
Numerous problems in control and systems theory can be formulated in terms of linear matrix inequalities (LMI). Since solving
an LMI amounts to a convex optimization problem, such formulations are known to be numerically tractable. However, the interest
in LMI-based design techniques has really surged with the introduction of efficient interior-point methods for solving LMIs
with a polynomial-time complexity. This paper describes one particular method called the Projective Method. Simple geometrical
arguments are used to clarify the strategy and convergence mechanism of the Projective algorithm. A complexity analysis is
provided, and applications to two generic LMI problems (feasibility and linear objective minimization) are discussed. 相似文献