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1.
Robert H. Crabtree 《Journal of organometallic chemistry》2004,689(24):4083-4091
The title topic is reviewed with emphasis on catalysis and on recent advances. Alkane σ complexes, Shilov chemistry and oxidative addition routes are covered. Attention is also given to σ bond metathesis, surface-bound organometallics and CH activation involving carbene complexes. Closely related reactions of non-alkane substrates such as the Murai reaction are also discussed. 相似文献
2.
聚醚醚酮链结构与反应的模型化合物的量子化学研究 总被引:1,自引:1,他引:0
利用AM1方法对聚醚醚酮模型化合物全优化,结果为:芳环平均相互扭转角为33.0度,桥键角117.0-118.0度,其分子结构拓扑图形表明:所有苯环(核)为平面构型,但其内角扭曲;其氢原子对苯环构型无实质性贡献,在更长链的计算中,冻结苯核与氢原子也得出满意结果,根据Mulliken键序与电荷讨论了醚交换与磺化反应。 相似文献
3.
Enrique J. Baran 《Monatshefte für Chemie / Chemical Monthly》1991,122(6-7):479-481
Summary Mean amplitudes of vibration for OTeF
5
–
have been calculated from known spectroscopic and structural data in a wide temperature range. The results are briefly discussed in comparison with those of related species. 相似文献
4.
We construct random locally compact real trees called Lévy trees that are the genealogical trees associated with continuous-state
branching processes. More precisely, we define a growing family of discrete Galton–Watson trees with i.i.d. exponential branch
lengths that is consistent under Bernoulli percolation on leaves; we define the Lévy tree as the limit of this growing family
with respect to the Gromov–Hausdorff topology on metric spaces. This elementary approach notably includes supercritical trees
and does not make use of the height process introduced by Le Gall and Le Jan to code the genealogy of (sub)critical continuous-state
branching processes. We construct the mass measure of Lévy trees and we give a decomposition along the ancestral subtree of
a Poisson sampling directed by the mass measure.
T. Duquesne is supported by NSF Grants DMS-0203066 and DMS-0405779. M. Winkel is supported by Aon and the Institute of Actuaries,
EPSRC Grant GR/T26368/01, le département de mathématique de l’Université d’Orsay and NSF Grant DMS-0405779. 相似文献
5.
Push-pull dithiafulvenes with reduced bond length alternation (BLA) and high optical nonlinearities have been prepared. The interplay between the proaromaticity of the donor and the structural and optical properties of these merocyanines is discussed. The donor ability of dithiafulvenes can reach that of ferrocene or dialkylaminophenyl groups. 相似文献
6.
Mark L. Lewis 《Algebras and Representation Theory》2002,5(3):277-304
Let G be a solvable group with five character degrees. Suppose that there is some prime p so that G/O
p
(G) is not Abelian. Also, assume that cd(G) contains a degree that is not divisible by p. Under these hypotheses, we show that the derived length of G is at most 4. 相似文献
7.
The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing flat surface was simulated by the Monte Carlo method. The dependence of the number of surface contacts M on the interaction strength e and the chain length N was investigated by a finite-size scaling law M = N[a0 + a1N1/vk + O((N 1/vk)2)] for e near the critical adsorption point ec, i.e., k ≡(e-ec)/ec closes to 0. The critical adsorption point was estimated to be ec = 0.93, and the exponents 61542; = 0.49 and 1/v= 0.57. 相似文献
8.
介绍了核磁共振(NMR)波谱,尤其是核磁共振二维谱(2D NMR)在最近几年内的进展。内容包括怎样用NMR测定高聚物的序列分布、共聚物结构、聚合物的混溶性、聚合物液晶的取向度、分子量、短链度和长链支化度、凝聚态高聚物的多相结构等。 相似文献
9.
H. Serier M. Gaudon A. Demourgues A. Tressaud 《Journal of solid state chemistry》2007,180(12):3485-3492
Zinc hydroxyfluoride (ZnOHF), obtained by coprecipitation of a zinc salt in aqueous HF, exhibits a variable stoichiometry Zn(OH)2−xFx, where x is tuneable from 0.63 to 0.87 by controlling the pH of the solution. The structure was determined from Rietveld refinements using X-ray powder diffraction data. Crystallizing with the orthorhombic symmetry (SG : Pna21), the ZnOHF-type structure exhibits two different anionic sites. A bond valence analysis shows that fluorine exclusively occupies the anionic site that has shorter contacts to zinc. This site is split into two partially occupied sites, one corresponding to the position of a fluoride ion and the other to the position of a hydroxide ion. Bond valence calculations show that the split site model gives a more accurate picture of the local coordination of the anions on this site. 相似文献
10.
J. Goubeau 《Angewandte Chemie (International ed. in English)》1966,5(6):567-578
The force constants and the corresponding bond orders of nitrogen bonds have been calculated from the vibrational spectra (infrared and Raman spectra) of a great number of nitrogen compounds. Plotting the maximum bond order of stable nitrogen bonds against the sum of Pauling's electronegativities of the bonding partners (Σx) leads to one continuous curve for the N? X bonds where X represents elements of the first and the second short period of the periodic table. Furthermore, when the bonds formed between these elements are arranged in a coordinate system in such a way that the position of each bond is determined by the difference between the electronegativities of the bonding partners (Δx along the ordinate) and the sum of the electronegativities of the bonding partners (Σx along the abscissa), the bonding partners capable of forming multiple bonds all lie within a closed domain, where their position can be correlated with their polymerizability and other reactivities of the multiple bonds. Also discussed are the orders of bonds between nitrogen and some transition elements. In an appendix, the present methods used to calculate force constants and bond orders are surveyed. 相似文献