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951.
952.
953.
Biman Bagchi 《Journal of Chemical Sciences》1987,99(4):243-252
The canonical average of the Boltzmann factor of the interaction potential, as measured by a test particle, is shown to be
equal to the inverse of the fraction of the average number
of 1-particle Mayer clusters. The potential distribution theory is used to derive an analytic expression for a mean number
of small clusters
1≤n<N, in anN-particle system) in the mean-field expression. Near the spinodal density, the average number of small clusters undergo a
sharp change. Computation of pressure shows that only the first four clusters produce surprisingly good agreement with known
pressure even beyond the spinodal density.
Contribution No. 439 from the Solid State and Structural Chemistry Unit 相似文献
954.
The effect of replacing the hydrogen atoms in thioformaldehyde by halogen atoms (F, Cl) on the ionisation potential of the
non-bonding electron is analysed by using the Hellman-Feynman theorem, regarding the nuclear charge of the substituent as
a parameter in the many-electron Hamiltonian. The trends predicted by our theory nicely agree with the relevant ionisation
potentials computed either by applying Koopmans’ theorem or by the ΔE
SCF method. For the carbonyls, avaible experimental data indicate the reliability of our prediction. 相似文献
955.
R. Syski 《Stochastic Processes and their Applications》1977,5(2):93-129
A Markov chain (with a discrete state space and a continuous parameter) is perturbed by forcing a chain to return to “permissible” states whenever it happens to enter “forbidden” states, with returns governed by a replacement distribution.The compensation method is employed to obtain the distribution for the modified chain, in terms of the original chain and the perturbation mechanism.Emphasis is placed on ergodic chains, and interpretation of results in terms of perturbation theory of semi-groups and the ergodic potential theory (based on the fundamental matrix of a chain) is mentioned. 相似文献
956.
We have developed a kinematical theory for the asteroidal belt and Kirkwood gaps from the point of view of stellar dynamics.
We have generated the potential that would produce these gaps and have made a spectral analysis study. We have shown that
these gaps could be due to spiral tubes of matter in the ecliptic plane as a consequence of differential rotation and spatial
interference of density waves. We have also shown that this mechanism could account for depletion of matter from this region. 相似文献
957.
The transient response mechanism of the platinum electrode to the uncoupled ions may be interpreted with the mixed phase formation (MPF) model of the transient response of precipitate-based ion-selective electrodes to interfering tons for Kxy<<1 It is discovered that the peak height of the transient signal is related to the solubility of M(OH)2 and hydration heat of M2+ The relation between the positive peak height of transient signal of Pb2+ or Cd2+ and lgaM obey tne Nernst equation,while that of Ca2+ or Mg2+ does not.The equilibrium potential is not of Nernst response for all ions. 相似文献
958.
16O+12C系统的折叠模型 总被引:2,自引:0,他引:2
建立一个对于16O+12C系统的折叠模型.这个模型能很好地描述该系统的弹性散射实验数据. 相似文献
959.
R. G. Thompson P. S. Dharmapala J. Diaz M. D. González-Lima R. M. Thrall 《Annals of Operations Research》1996,66(2):163-177
The setE of extreme points which are also efficient are of basic importance in defining the efficiency frontier, from which the observations for all other DMUs are evaluated in DEA. A significant question which we address is “What variations in the data can be tolerated before the membership inE is changed?” This topic is explored using (1) a simple illustrative example, and (2) production data for 30 independent oil companies during the period 1983–1985. Data were allowed to vary simultaneously for all observations and in different subsets determined by random drawings of data for points both inE and not inE. The results were found to be robust in this study, thereby lending further support to earlier studies which also found these classifications into efficient and inefficient performers to be robust in DEA. Technical developments for these new methods of sensitivity analysis are supplied. These developments feature an application of analytic center (interior point) algorithms which ensure that the Strong Complementary Slackness Condition (SCSC) is fulfilled. The solutions satisfy a mathematical condition called “centrality”. Generally, the solutions are at interior points calledanalytic centers. At these interior points, continuity of the input-output ratios ensures that DMUs inE remain inE for at least small relative variations in the data, while empirically these properties have been found to extend to much larger variations in the data sets. 相似文献
960.
原子势模型理论中精细结构的计算公式 总被引:1,自引:0,他引:1
应用微扰理论导出了最弱受约束电子势模型理论中精细结构的计算公式,该公式可直接用于单价原子(离子)能级的精细结构的计算。 相似文献