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91.
Th. Emmler S. Gieschler H. H. Limbach G. Buntkowsky 《Journal of Molecular Structure》2004,700(1-3):29-38
A set of OHO hydrogen bonded systems with known neutron diffraction structure has been studied by fast 1H-MAS echo spectroscopy. It is shown that the application of a simple rotor synchronized echo sequence combined with fast MAS allows a faithful determination of the chemical shift of the proton in the hydrogen bond. Employing the empirical valence bond order model, the experimental 1H chemical shifts of the hydrogen bonded protons are correlated to the hydrogen bond geometries. The resulting correlation between the proton chemical shift and the deviation of the proton from the center of the hydrogen bond covers a broad range of substances. Deviations from the correlation curve, which are observed in certain systems with strong hydrogen bonds, are explained in terms of proton tautomerism or delocalization in low-barrier hydrogen bonds. These deviations are a highly diagnostic tool to select potential candidates for further experimental and theoretical studies. Thus, the combination of the 1H-MAS echo sequence with the correlation curve yields a simple and versatile tool for the structural analysis of OHO hydrogen bonds. 相似文献
92.
U. Müller Th. Bubel G. Schulz 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1993,25(2):167-174
The optical emission spectrum in the near ultraviolet and visible following electron impact on H2O was studied in a crossed-beam and a static gas-target experiment. Emissions of H*, OH*, OH+*, and H2O+* fragments were detected and absolute emission cross sections for the different fragments were determined. A nonthermal rotational population was observed for the diatomic fragments which gives insight into the dissociation process. Further conclusions on the dissociation mechanism are possible based on appearance potentials and the shape of the emission cross sections as a function of impact energy. 相似文献
93.
94.
The cis,cis,cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)-cyclopentane-[PdCl(eta3-C3H5)]2 system catalyses the coupling of aryl halides with alkynes with very high ratios of substrates-catalyst in good yields; a turnover number of 2600000 can be obtained for the reaction of 4-trifluoromethylbromobenzene with phenylacetylene in the presence of this catalyst. 相似文献
95.
Anne Marie Torpe 《Journal of Functional Analysis》1985,61(1):15-71
The K-theory of the C1-algebra associated to C∞-foliations (V, F) of a manifold V in the simplest non-trivial case, i.e., dim V = 2, is studied. Since the case of the Kronecker foliation was settled by Pimsner and Voiculescu (J. Operator Theory4 (1980), 93–118), the remaining problem deals with foliations by Reeb components. The K-theory of for the Reeb foliation of S3 is also computed. In these cases the C1-algebra is obtained from simpler C1-algebras by means of pullback diagrams and short exact sequences. The K-groups are computed using the associated Mayer-Vietoris and six-term exact sequences. The results characterize the C1-algebra of the Reeb foliation of 2 uniquely as an extension of C(S1) by C(S1). For the foliations of 2 it is found that the K-groups count the number of Reeb components separated by stable compact leaves. A C∞-foliation of 2 such that K1(C1(2, F)) has infinite rank is also constructed. Finally it is proved, by explicit calculation using (M. Penington, “K-Theory and C1-Algebras of Lie Groups and Foliations,” D. Phil. thesis, Oxford, 1983), that the natural map is an isomorphism for foliations by Reeb components of 2 and S3. In particular this proves the Baum-Connes conjecture (P. Baum and A. Connes, Geometric K-theory for Lie groups, preprint, 1982; A. Connes, Proc. Symp. Pure Math.38 (1982), 521–628) when V = 2. 相似文献
96.
The charge-transfer (CT) transition of complexes involving alkylated aromatic electron donors shifts hypsochromically upon benzylic deuteration. This is attributed to hyperconjugative effects. 相似文献
97.
98.
G. J. De Jong U. A. Th. Brinkman W. Th. Kok 《Journal of Radioanalytical and Nuclear Chemistry》1977,35(2):245-252
An investigation has been made on the system liquid anion-exchanger-Cd(II)-NCS−. The influence of the acidity and thiocyanate concentration of the aqueous phase on the extraction has been studied. Using
various methods of analysis, it has been shown that the complex anion present in the organic extracts is Cd(NCS)
4
2−
. Details are given concerning the removal of traces of Zn(II) from Cd(II)-containing solutions, and the quantitative separation
of Cd(II) from Cr(III). 相似文献
99.
Stress fields between interacting small particles ( approximately 100 nm) have been investigated by transmission electron microscopy. The background for these TEM observations is discussed in terms of adhesion stress fields (due to surface forces), the action of an applied point force, possibly magnetic, and dislocations or misfit strains due to an unfavorable matching of crystal lattices at the grain boundary. A further explanation might be sought along the line "squeezed-in oxide" which can be visualized as a coherent particle or a dislocation loop. Accompanying theoretical calculations have been performed and compared with the experimental results. 相似文献
100.
Summary The pozzolanic reactivity of thermally treated zeolites was studied on the basis of the Chapelle test combined with X-ray
diffraction (XRD) and Fourier Transform (FTIR) spectroscopy, as well as thermogravimetric analysis (TG/DTG) and differential
thermal analysis (DTA). The raw zeolite samples are from the Pentalofos area, Thrace, NE Greece. Their main mineral constituent
is 'heulandite type-II', an intermediate type of the heulandite-clinoptilolite isomorphous series. Calcination of the samples
was carried out up to 400, 500, 600, 700 and 1000°C for 15 h. The changes were recorded using the above methods. The deformation
of the zeolite crystal lattice starts at about 400°C and proceeds as the temperature of thermal treatment rises. The thermal
treatment of zeolite at 400°C improves its pozzolanic reactivity and accelerates the reaction with Ca(OH)2. 相似文献