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61.
Pearson-χ~2距离的若干性质 总被引:18,自引:0,他引:18
李开灿 《数学的实践与认识》2003,33(1):49-53
本文对数理统计中常用的 Pearson- χ2距离的分析特性进行了讨论 ,得到了这一距离的一些解析性质 ,最后我们还给出了几个常用距离的关系 . 相似文献
62.
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65.
The system design must be started from the concept with low cost and high performance. In this point, the topological shape of the structure is very important in the view of the structural rigidities and light-weight design.In this paper, the optimization methodology is presented in the design stage of the large optical mirror. We obtain the optimal layout through the topology optimization and then design the details through the size or shape optimization for structural rigidity. 相似文献
66.
In the present paper, a new two-parameter inverted equation of state (EOS) is developed which is found to be working very
well in the high-pressure region. To check its success and validity, this EOS has been applied in a number of solids. The
computed volume compression is found to be in very good agreement with the experimental data in the whole range of pressure
in all the solids. The minimum and the maximum pressure range used in the present study is 0–320 kbar and 0–3000 kbar, respectively. 相似文献
67.
Shawn Shih 《中国化学会会志》2003,50(4):815-822
A large class of stereochemcial and related interactions in organic chemistry are repulsive and others are attractive, but the relative orientation of two methyl groups and the amount of energy required to twist one relative to the other (the hindered rotation energy barriers), or the alignment of such a group with respect to a conjugated ring to which it is attached (widely attributed to a mechanism called “hyperconjugation”) are estimated to be small in compared with the total energy of the molecule. We used theories of both isotropic and anisotropic proton hyperfine interactions in the π‐electron systems developed in the early sixties. They are approximated by the magnetic dipole nteractions between each proton and an electron spin magnetization that is distributed in 2s and 2p Slater atomic orbitals center on carbon atoms. We have extended these theories to the non‐planar olefinic cation radicals, which are very important in biochemistry as well as in petroleum catalysis. A three dimensional electron spin density equation has been developed in this paper to handle some Jahn‐Teller vibronic molecules. The new electron spin density equation related the observed proton hyperfine splittings to the non‐planar structures of the open‐chain alkene cation radicals generated by radiolysis and various chemical oxidation methods. The spin densities and the conformational calculations based on valence bond theory and symmetry principles are compared with some more elaborated molecular orbital calculations in the literature. The localized valence bond approaches are better in accord with our experimental results. The anomalous line‐width effect of the four methyl groups observed in the 2,3‐dimethyl‐2‐butene cation radicals also confirmed the positive sign of the electron‐proton hyperfine constant of hyper‐conjugation mechanism. A methyl substituent attached to a conjugated molecule often behaves as if it formed part of the region of conjugation; the charge appears to flow from the methyl group into the π electron system and it may also give rise to an appreciable dipole moment. Methylation also gives rise to an appreciable dipole moment, and the resultant red shift of electronic absorption bands is of some importance in the design of dye molecules. 相似文献
68.
N. Nishi J. Nishijo K. Judai C. Okabe O. Oishi 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,43(1-3):287-290
UV photoexcitation of (t-butylethynyl copper)24
cluster films induces segregation of the crystals into metallic and organic
phases and leads to evolve the metallic sheets sandwiched by organic
polymers. The growth of the metallic crystals in the plane of the
photo-electromagnetic field is attributed due to plasmon-plasmon interaction
among nanoparticles embedded in dielectric polymer matrices. The surface
enhanced photochemical reaction of residual cluster molecules on the photon
incident direction is expected to take an important role for joining the
metal particles to produce a metallic sheet. We can apply this phenomenon
for photolithographic copper pattern generation on a flexible base plate. 相似文献
69.
M. Iuga G. Steinle-Neumann J. Meinhardt 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,58(2):127-133
Athermal elasticity for some ceramic materials (α-Al2O3,
SiC (α and β phases), TiO2 (rutile and anatase),
hexagonal AlN and TiB2, cubic BN and CaF2, and monoclinic
ZrO2) have been investigated via density functional theory.
Energy-volume equation-of-state computations to obtain the zero pressure
equilibrium volume and bulk modulus as well as computations of the full
elastic constant tensor of these ceramics at the experimental zero pressure
volume have been performed. The present results for the single crystal
elasticity are in good agreement with experiments both for the aggregate
properties (bulk and shear modulus) and the elastic anisotropy. In contrast,
a considerable discrepancy for the zero pressure bulk modulus of some
ceramics evaluated from the energy-volume fit to the computational zero
pressure volume has been observed. 相似文献
70.
A. V. Pastukhov V. A. Davankov E. V. Sidorova E. I. Shkol’nikov V. V. Volkov 《Russian Chemical Bulletin》2007,56(3):484-493
An automated procedure was developed for monitoring fast changes in the size of spherical samples of polymers during their
contact with a solvent or drying. The kinetics of bulk deformation in these processes was studied for a series of cross-linked
polymers, viz., gel-type and porous styrene—divinylbenzene copolymers and poly(divinylbenzenes), and hypercrosslinked polystyrenes. Gel,
macroporous, and hypercrosslinked polystyrenes are substantially different in the rate, mechanism, and degree of swelling,
which is associated with the principal differences in their physical structures. An unusual effect of a sharp decrease followed
by a temporary increase in the volume of porous polystyrene and poly(divinylbenzene) materials were observed during desorption
(evaporation) of organic solvents. Water desorption is accompanied by an excessive bulk compression of porous granules giving
rise to negative deformations, which gradually relax to the state equilibrium for the dry polymer. The results of dynamic
desorption porometry (for water desorption) are indicative of a bimodal size distribution of micropores in hypercrosslinked
polystyrene.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 467–476, March, 2007. 相似文献