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211.
V. O. Nesterenko W. Kleinig P. -G. Reinhard 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,19(1):57-64
Recent experimental data on the dipole plasmon in axial sodium clusters Na N + with 11 ≤ N ≤ 57 are analyzed within a self-consistent separable random-phase approximation (SRPA) based on the deformed Konh-Sham functional. Good agreement with the data is achieved. The calculations show that, while in light clusters plasmon properties (gross structure and width) are determined mainly by deformation splitting, in medium clusters with N τ 50 the Landau fragmentation becomes decisive. Moreover, in medium clusters shape isomers come to play with contributions to the plasmon comparable with the ground state one. As a result, commonly used methods of the experimental analysis of cluster deformation become useless and correct treatment of cluster shape requires microscopic calculations. 相似文献
212.
An experiment on program development 总被引:1,自引:0,他引:1
Peter Naur 《BIT Numerical Mathematics》1972,12(3):347-365
As a contribution to programming methodology, the paper contains a detailed, step-by-step account of the considerations leading to a program for solving the 8-queens problem. The experience is related to the method of stepwise refinement and to general problem solving techniques. 相似文献
213.
D. Stauffer 《Journal of statistical physics》1978,18(2):125-136
A scaling assumption for the numberg
ns of different cluster configurations with perimeters and sizen leads to the desired cluster numbers near the percolation threshold. The perimeter distribution function has a mean square width proportional ton for largen. The relation between the average perimeter and the cluster sizen for percolation has three different forms atp
c, belowp
c, and abovep
c and is closely related to the shape of the cluster size distribution. 相似文献
214.
K.?V.?Zubowa A.?V.?Zubow V.?A.?ZubowEmail author 《Journal of Applied Spectroscopy》2005,72(6):840-847
Using the flicker-noise method (FNM), we investigated the oscillations of clusters in aqueous solutions of NaCl in the range
of concentrations from 0.1 to 26.0 mass %. It has been established that in the solutions oscillators whose masses are similar
to the masses of the models of aggregates of solvate clusters of ion pairs (SCIP) of salt with a different water content are
present. In diluted solutions (<10%), the elementary SCIP has the form NaCl· 40H2O. For the entire range of concentrations the SCIPs are given by structures based on the cubic system of the sodium chloride
system. The base structure for them is a cube formed from 12 SCIPs of salt. The largest cluster revealed by the FNM method
for all investigated concentrations of salt had a mass of ≈1.5 million D. The presence of NaCl in water leads to a collapse
of its cluster structure, except for the smallest clusters (H2O)10…11, whose concentration increases with temperature or solution concentration. The distribution of SCIPs changes dramatically
at a temperature above 300 K. The possible structures of SCIPs are given and the mechanism of their formation is discussed.
__________
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 6, pp. 766–772, November–December, 2005. 相似文献
215.
Tetrahedral chalcogenide clusters and open frameworks 总被引:2,自引:0,他引:2
By integrating porosity with electrical or optical properties, microporous chalcogenides may have unique applications. Here we review recent advances and discuss concepts in the synthesis and crystal structure of tetrahedral clusters and their frameworks. These chalcogenides can be viewed as trivalent metal chalcogenides doped with tetra-, di-, or monovalent metal cations. Low-valent cations help to increase the cluster size, while high-valent cations have the opposite effect. 相似文献
216.
Let (M, g) be a pseudo-Riemannian manifold and
the space of densities of degree on M. Denote
the space of differential operators from
to
of order k and S
k
with = – the corresponding space of symbols. We construct (the unique) conformally invariant quantization map
. This result generalizes that of Duval and Ovsienko. 相似文献
217.
The present review surveys the results of X-ray diffraction studies of large stoichiometric transition metal clusters containing from 20 to 145 atoms in metal cores surrounded by ligand shells (72 compounds). Structures of such clusters have fragments of close packings (face-centered cubic (f.c.c.), hexagonal close (h.c.p.), and body-centered cubic (b.c.c.) packings) characteristic of crystalline bulk metals as well as mixed packings (f.c.c./h.c.p.), local close packings with pentagonal symmetry, and strongly distorted amorphous packings. The observed packing types, their distortions, and the relationship between the atomic structures of metal cores and the atomic radial distribution functions (RDF) are discussed. The structural principles established for the large clusters are applied to analysis of the experimental RDF for metal nanoparticles determined by X-ray diffraction and EXAFS spectroscopy. 相似文献
218.
Koehler G 《Nonlinear dynamics, psychology, and life sciences》2003,7(1):99-114
Nonlinear Dynamics, Psychology, and Life Sciences - Can public policy development and implementation be improved by closely tracking and coordinating its timing with that of the regulated sector?... 相似文献
219.
Peter D. Mlynek Masaki Kawano Michael A. Kozee Lawrence F. Dahl 《Journal of Cluster Science》2001,12(1):313-338
Reactions of [Ni6(CO)12]2- (1) with CuBr2 have given rise in small yields (10%) to the first example of a close-packed copper-nickel carbonyl cluster; its formulation as [CuxNi35-x(CO)40]5- (with x=3 or 5) is based upon a low-temperature CCD X-ray crystallographic determination coupled with an elemental analysis and X-ray fluorescence measurements. This air-unstable black pentaanion (2) together with one co-crystallized bromide anion, six [NMe4]+ counterions, and one solvated acetone molecule comprise the crystallographic independent part in a monoclinic unit cell of P21/n symmetry (with Z=4). The geometrically unprecedented 35-atom hcp M(A)2M(B)3Ni30 polyhedron of pseudo-D3h symmetry consists of a central 15-atom equilateral 4M(B)3Ni12 triangle that is capped on both sides by two symmetry-related 10-atom equilateral 3M(A)Ni9 triangles. The 35-atom M(A)2M(B)3Ni30 core is encapsulated by 40 COs, whose connectivities, due to an extra CO ligand on one of the three triangular sides, reduce the pseudo D3h symmetry of the metal core to Cs. An elemental analysis via AA and X-ray fluorescence measurements resulted in Cu/Ni ratios of 3.2/31.8 and 3.7/31.3, respectively, that are consistent with the metal core being either Cu5Ni30 (i.e., M(A)=M(B)=Cu) or Cu3Ni32 (i.e., M(A)=Ni; M(B)=Cu). Several attempts to determine the actual stoichiometry of the metal core by use of electrospray FT/MS/ICR measurements were unsuccessful. The maximum metal-core diameter of 2 is ca. 0.41 nm parallel and 0.85 nm perpendicular to the principal 3-fold axis. 相似文献
220.
S. F. A. Kettle E. Boccaleri E. Diana R. Rossetti P. L. Stanghellini M. C. Iapalucci G. Longoni 《Journal of Cluster Science》2001,12(1):175-186
When the Fe(CO)4 and M(CO)5 (M=Cr, W) groups are co-ordinated in C3v and C4v fashion, respectively, in transition metal carbonyl cluster species they contain two sets of non-symmetry related carbonyl groups. In the application of the spherical harmonic model (SHM) to the interpretation of the infrared spectra of these compounds it proves necessary first to treat these as for a normal, isolated, M(CO)4 or M(CO)5 group and then apply the SHM. This recognition gives insights into the general application of the SHM. 相似文献