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111.
We investigate the statistics of the numberN(R, S) of lattice pointsnZ
2, in an annular domain (R, w)=(R+w)A\RA, whereR, w>0. HereA is a fixed convex set with smooth boundary andw is chosen so that the area of (R, w) isS. The statistics comes fromR being taken as random (with a smooth density) in some interval [c
1
T,c
2,T],c
2>c
1>0. We find that in the limitT the variance and distribution of N=N(R; S)–S depend strongly on howS grows withT. There is a saturation regimeS/T, asT, in which the fluctuations in N coming from the two boundaries of are independent. Then there is a scaling regime,S/Tz, 0<z<, in which the distribution depends onz in an almost periodic way going to a Gaussian asz0. The variance in this limit approachesz for genericA, but can be larger for degenerate cases. The former behavior is what one would expect from the Poisson limit of a distribution for annuli of finite area. 相似文献
112.
Alain Joye 《Journal of statistical physics》1994,75(5-6):929-952
The spectrum of the Floquet operator associated with time-periodic perturbations of discrete Hamiltonians is considered. If the gap between successive eigenvalues
j
of the unperturbed Hamiltonian grows as
j
-
j-1
j
and the multiplicity of
j
grows asj
with >0 asj tends to infinity, then the corresponding Floquet operator possesses no absolutely continuous spectrum provided the perturbation is smooth enough. 相似文献
113.
Catherine J. Murphy 《Journal of Cluster Science》1996,7(3):341-350
One of the most exciting frontiers in materials chemistry in recent years is the optoelectronics of quantum-confined semiconductor nanoclusters. These nanoclusters are 10–200 A in diameter, and in this size regime exhibit extra-ordinarily interesting quantum mechanical effects. Cadmium sulfide is a popular semiconductor for these studies, and reviewed here is the synthesis and charac-terization of such CdS nanoclusters, with emphasis on how chemical control of the surface by thiolates influences product formation and properties. Also described are the syntheses and structures of true molecular clusters of CdS capped with thiolate ligands. 相似文献
114.
Based on the group theory analysis and quantum chemical calculations within the framework of SW X α method (in relativistic approximation for core electrons and non-relativistic for valence ones), the existence possibility of square planar complexes [M4C] and [M4C]2? (M = Al, Ga, In, Tl, Sc, and Y) in gas phase has been shown. The extraction of Kt2[M4C] square planar complexes of carbon in the crystal state is possible too. A high stability of these complexes, in comparison with usual tetrahedral, is achieved due to the formation of five-and four-center bonds (bonds M-M and M-C). 相似文献
115.
Webster Hughes 《Journal of statistical physics》1985,41(5-6):975-1013
In this paper I combine techniques recently developed by Charles Fefferman with the well-known methods of Joel Lebowitz and Elliott Lieb to resolve some technical problems left unsettled by Lebowitz and Lieb's fundamental 1972 paper The constitution of matter: Existence of thermodynamics for systems composed of electrons and nuclei. 相似文献
116.
Using the Wigner-Kirkwood expansion and bare Lennard-Jones (LJ) (12-6) potential, an effectiveLJ potential is derived, which includes the quantum effects through the expressions of the effective diameter∂(T, λ) and well-depth
(T, λ). We use theWCA perturbation theory to calculate the free energy and pressure for theLJ and effectiveLJ potentials. Simple analytic expressions are given for the reference system and the first order correction calculated. The
results are quite good at high density. The quantum effects on the free energy and pressure are also discussed. 相似文献
117.
Hongye Tian Jun Shao Rong He Feng Gao Daxiang Cui Hongchen Gu 《Frontiers of Chemistry in China》2006,1(4):474-478
Quantum dots (QDs) were prepared in an organic system through a simple and low-cost wet chemistry method. Polymer beads with
a diameter of 60–70 nm and specific functional groups were synthesized by a particular seeded emulsion polymerization technique.
QDs were embedded in the polymer beads with the specific functional groups through dissolving and swelling method, which provided
the condition for the conjunction of biomolecules and QDs as fluorescent probes. The prepared composites were characterized
with UV-Vis, PL, TEM, FTIR, CLSM and conductance titration etc. The results show that QDs are successfully embedded in polymer
beads, which breaks the limitation that the conjunction of biomolecules and QDs can be achieved only for those synthesized
in aqueous system.
__________
Translated from Journal of Shanghai Jiaotong University, 2005, 39(1) (in Chinese) 相似文献
118.
The calculations of clusters modeling the fluorine-doping and oxygen deficiency of YBa2Cu307 have been performed by the method of all-electronab initio Hartree-Fock with self-consistent crystal field. Results show that in CuO planes electric charge significantly increases,
the chemical valence of Cu decreases and the covalent bonding of Cu-O greatly weakens owing to oxygen deficiency, while the
effect of F restores the local electronic structure of YBa2Cu3O7. The reported opinion that F occupied the oxygen vacancy in Cu-O chains seems disputable according to the calculated bonding
characteristics
Project supported by the National Natural Science Foundation of China. 相似文献
119.
A straightforward discussion on how to generate molecular fields is developed within the postulates of quantum mechanics. The theoretical formalism points towards the generalization and extension of the well-known molecular field forms, associated to density function and electrostatic molecular potential (EMP), including another category of fields associated to quantum molecular similarity measures. The results show that the new formalism can be easily applied to obtain an unlimited number of new information about molecular behavior. 相似文献
120.
J. Voll T. Kerscher D. Geppert R. de Vivie-Riedle 《Journal of photochemistry and photobiology. A, Chemistry》2007,190(2-3):352-358
The technological needs imposed by the exponential miniaturization trend of conventional electronic devices has drawn attention towards the development of smaller and faster devices like ultrafast molecular switches. In recent years molecular switches emerge again in the focus of active and innovative research with state-of-the-art optical tools recording their dynamics in real time. Still many questions about the underlying microscopic mechanism are left open, including potential factors that effect the switching process in either way, improve or worsen it. Due to the complexity of such molecules it is difficult to obtain a global answer from experiment alone. On the other side molecular switches are generally too large for a complete quantum chemical and quantum dynamical calculation. In our group we therefore developed an ab initio based modular model to handle the laser induced quantum dynamics in molecular switches like fulgides. It enables us to study the effect of internal molecular coupling and of the molecular response to external fields. We can investigate the related wave packet dynamics, the switching efficiency and the controllability. Our results focus on the laser induced ring opening in fulgides, which equals one direction of the switching process. Presented are the influence of a conical intersection seam and of time-dependent potentials, mimicking the mean interaction with the environment. Furthermore the relation of controllability and the wave packet's momentum is studied and the influence of potential barriers on the switching dynamics is shown. 相似文献