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11.
IR‐to‐visible up‐conversion fluorescent nanocrystals of hexagonal‐phase NaYF4:20 %Yb,2 %Er and NaYF4:20 %Yb,2 %Tm have been synthesized by decomposition of multiprecursors of CF3COONa, (CF3COO)3Y, (CF3COO)3Yb, and (CF3COO)3Er/(CF3COO)3Tm in oleylamine at 330 °C. The average particle size is 10.5 ± 0.7 nm (from random measurements of 200 particles from five transmission electron microscopy images) and 11.1 ± 1.3 nm (from dynamic‐light‐scattering measurements). The up‐conversion fluorescence intensity of the hexagonal nanocrystals in this work is much higher than that of other cubic‐phase NaYF4:Yb,Er nanocrystals, including the ones in this work (by a factor of 7.5). Mechanisms for nucleation and growth of the hexagonal‐phase nanoparticles are proposed. These nanocrystals are easily dispersed in organic solvents, producing a transparent colloidal solution. The hydrophobic surfaces of the particles are made hydrophilic using a bipolar surfactant. These nanoparticles and their dispersions in various media have potential applications in optical nanodevices and bioprobes. 相似文献
12.
N. I. Kavallaris A. A. Lacey C. V. Nikolopoulos D. E. Tzanetis 《Mathematical Methods in the Applied Sciences》2007,30(13):1507-1526
We estimate the blow‐up time for the reaction diffusion equation ut=Δu+ λf(u), for the radial symmetric case, where f is a positive, increasing and convex function growing fast enough at infinity. Here λ>λ*, where λ* is the ‘extremal’ (critical) value for λ, such that there exists an ‘extremal’ weak but not a classical steady‐state solution at λ=λ* with ∥w(?, λ)∥∞→∞ as 0<λ→λ*?. Estimates of the blow‐up time are obtained by using comparison methods. Also an asymptotic analysis is applied when f(s)=es, for λ?λ*?1, regarding the form of the solution during blow‐up and an asymptotic estimate of blow‐up time is obtained. Finally, some numerical results are also presented. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
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15.
In our former investigations, the phenomenon high temperature corrosion (HTC) was described exemplarily on selected materialcoating combinations for blades of stationary gas turbines, mainly in the temperature region of up to 750° C. To answer the question, in which manner higher gas inlet and/or higher material surface temperature would influence the HTC behaviour, a special analytical technique—the integral layer profile analysis—was introduced to ameliorate concentration profile methods. By examining IN 738 LC specimens with CoCrAlY plasma spray coating, stressed by hot gas at 900° C, the limits of this system are shown by explaining the corrosion mechanism; the method is also used for other systems, e.g. U 520 with NiCrAlY coating at 750° C. 相似文献
16.
Most of the common classes of organic compounds chromatograph normally on Superoxes. There is no tailing or adverse effect from excessively different activity different activity coefficients. Superoxes are therefore universal phases for gas chromatography. This is also expressed by a wide useful temperature range from ~50° to ~300°. High MW Superox-4 has a MAOT about 20° higher than the lower MW Superox-0.1. Several applications illustrating the versatility of Superox phases in (GC)2 are presented. 相似文献
17.
M. R. Darafsheh Y. Farjami A. R. Ashrafi M. Hamadanian 《Journal of mathematical chemistry》2007,41(3):315-326
The non-rigid molecule group theory (NRG) in which the dynamical symmetry operations are defined as physical operations is
a new field in chemistry. Smeyers and Villa computed the r-NRG of the triple equivalent methyl rotation in pyramidal trimethylamine
with inversion and proved that the r-NRG of this molecule is a group of order 648, containing a subgroup of order 324 without
inversions (see J. Math. Chem. 28(4) (2000) 377–388). In this work, a computational method is described, by means of which it is possible to calculate the
symmetry group of molecules. We study the full non-rigid group (f-NRG) of Sponge and Pina molecules with C
2 and C
i point groups, respectively. It proved that these are groups of order 162 and 13122 with 54 and 3240 conjugacy classes, respectively.
The character tables of these groups are also computed. 相似文献
18.
本文提出一个以(10~(△pe)-1)~(-1)对△pe表示的离子选择电极一次加入标准法结果处理数值表。该表简单明了,不含电极斜率因素,适用于具有各种斜率的电极和不同价态离子的测定。 相似文献
19.
Guillermo Restrepo Eugenio J. Llanos Héber Mesa 《Journal of mathematical chemistry》2006,39(2):401-416
We carried out a mathematical study of 72 chemical elements taking advantage of the chemotopological method. We selected 128
properties to define the elements (physico-chemical, geochemical and chemical properties). Then, we looked for correlated
properties and we reduced the number of them to 90. In this way we defined each element as a 90-tuple. Afterwards, we applied
principal component analysis and cluster analysis (4 similarity functions and 5 grouping methodologies). Then, we calculated
a consensus tree for the 20 dendrograms generated by the CA. Afterwards, we extracted the similarity relationships from the
consensus tree and built up a basis for a topology on the set of chemical elements. Finally, we calculated some topological
properties (closures, derived sets, boundaries, interiors and exteriors) of several subsets of chemical elements. We found
that alkali metals, alkaline earth metals and noble gases appear not related to the rest of the elements. Also, we found that
the boundary of non-metals are the semimetals with a stair-shape on the periodic table 相似文献
20.
The graphical unitary group approach has been applied in an efficient implementation of a general multireference configuration interaction (MRCI) method for use with small active molecular orbital spaces in a semiempirical framework. Gradients can be computed analytically for molecular orbitals from a closed-shell or a half-electron open-shell Hartree-Fock calculation. CPU times for single point energy and gradient calculations are reported. The code allows MRCI geometry optimizations of large molecules, as illustrated for the singlet ground state and the four lowest triplet states of fullerene C(76). 相似文献