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981.
We recently described the design and synthesis of a novel CD4 binding peptidomimetic as a potential HIV entry inhibitor with a KD value of approximately 35 microM and a high proteolytic stability [A. T. Neffe and B. Meyer, Angew. Chem., Int. Ed., 2004, 43, 2937-2940]. Based on saturation transfer difference (STD) NMR analyses and docking studies of peptidomimetics we now report the rational design, synthesis, and binding properties of 11 compounds with improved binding affinity. Surface plasmon resonance (SPR) resulted in a KD = 10 microM for the best peptidomimetic XI, whose binding affinity is confirmed by STD NMR (KD = 9 microM). The STD NMR determined binding epitope of the ligand indicates a very similar binding mode as that of the lead structure. The binding studies provide structure activity relationships and demonstrate the utility of this approach. 相似文献
982.
Hunger J Beta IA Böhlig H Ling C Jobic H Hunger B 《The journal of physical chemistry. B》2006,110(1):342-353
Diffuse reflectance infrared Fourier transform spectroscopic (DRIFTS) measurements (4000-1500 cm(-1)) and the results of neutron powder diffraction have been combined to study the structure of adsorption complexes of water in a NaX zeolite at different water loadings (25, 48, 72, and 120 water molecules per unit cell, respectively). Sharp bands corresponding to non-hydrogen-bonded OH groups of water molecules and broad associate bands due to hydrogen-bonded molecules are observed in the DRIFT spectra. We observe a remarkable downshift of the high-frequency associate band in a narrow temperature interval when the water amount decreases from 120 to 72 molecules per unit cell, which could signify some kind of "phase transition" for the water inside the zeolite cavities. Neutron powder diffraction results show that water molecules are predominantly localized in or near the 12-ring windows. Water molecules with hydrogen-bonded and non-hydrogen-bonded OH groups were found, in agreement with the observation of sharp and broad bands in the DRIFT spectra. We find strong evidence for the formation of cyclic hexamers of water molecules localized in the 12-ring windows, which are further stabilized by hydrogen bonds to framework oxygen atoms. 相似文献
983.
In this paper we provide a complete characterization for when the Rees algebra and the associated graded ring of a perfect Gorenstein ideal of grade three are Cohen–Macaulay. We also treat the case of second analytic deviation one ideals satisfying some mild assumptions. In another set of results we give criteria for an ideal to be of linear type. Finally, we describe the equations defining the Rees algebras of certain Northcott ideals. 相似文献
984.
Bernd Tieke 《Colloid and polymer science》2005,283(4):421-430
The use of aqueous catanionic surfactant mixtures in the oil-in-water (o/w) microemulsion polymerisation of styrene is reported. Catanionic surfactant mixtures of dodecyltrimethylammonium bromide 1 and sodium dodecylsulfate 3, or decanediyl-1,10-bis(dimethyldodecylammonium bromide) 2, a gemini surfactant, and the anionic surfactant 3 were used. Phase behaviour and polymerisation properties of the microemulsions were studied as a function of the total surfactant concentration and the cationic/anionic surfactant ratio. Single-phase o/w microemulsions were only formed if either the cationic or anionic surfactant were present in large excess. Upon -irradiation, polymer nanoparticles were obtained. Using dynamic light scattering, the particle radii were determined to be 10 to 20 nm, the size depending on the total surfactant concentration, the cationic/anionic surfactant ratio and the surfactant/styrene ratio. Size exclusion chromatography indicated molecular weights of polystyrene of between 3×105 and 1.4×106 Daltons. Catanionic 1/3 and 2/3 mixtures differ in their styrene solubilizations. In a 1- or 3-rich system, the solubilization efficiency can be improved by increasing the concentration of the oppositely charged minor surfactant component, while in a 2-rich system the addition of 3 only diminishes the efficiency. Possible reasons for the different behaviours are discussed. 相似文献
985.
986.
Ab initio MO SCF calculations on the complexes of Li, Na, K, Be, Mg and Ca ions with glyoxal have been performed. These calculations represent the first part of a series of theoretical investigations on the dependence of complex formation properties of ligands containing two carbonyl groups on the structure of the cordinative center. Special attention has been paid to the chelate effect, which is found to increase with increasing atomic number within the series of ions. The calculated values are compared with our recent data obtained from UV spectroscopy of ion complexes with dicarbonyl ligands. 相似文献
987.
Bernd Carl 《Archiv der Mathematik》1984,43(2):183-186
988.
David Eisenbud Craig Huneke Bernd Ulrich 《Proceedings of the American Mathematical Society》2001,129(9):2535-2540
Using symmetric algebras we simplify and slightly strengthen the Bruns-Eisenbud-Evans ``generalized principal ideal theorem' on the height of order ideals of nonminimal generators in a module. We also obtain a simple proof and an extension of a result by Kwiecinski, which estimates the height of certain Fitting ideals of modules having an equidimensional symmetric algebra.
989.
J. Nicolas Roedel Roman Bobka Bernd Neumann Birgit Weber Peter Mayer Ingo‐Peter Lorenz Prof. Dr. 《无机化学与普通化学杂志》2007,633(8):1171-1177
The synthesis and characterization of mononuclear tetrakis‐aziridine nickel(II ) and copper(II ) complexes as well as of a dinuclear bis‐aziridine copper(II ) complex are described. The reactions of anhydrous MCl2 (M = NiII, CuII) with aziridine (= az = C2H4NH, C2H3MeNH, CH2CMe2NH) in CH2Cl2 at room temperature in a 1:5 and 1:2 molar ratio, respectively, afforded the tetrakis‐aziridine complexes [M(az)4Cl2] (M = Ni, Cu) or the dimeric bis‐aziridine complex [Cu(az)2Cl2]2. After purification, all of the complexes were fully characterized. The single crystal structure analysis revealed two different coordination modes. Whereas both nickel(II ) complexes can be classified as showing an elongated octahedral structure, copper(II ) complexes show either an elongated octahedral or a square pyramidal arrangement forming dimers with chlorido bridges in axial positions. Furthermore, the results of magnetic measurements of the nickel(II ) and copper(II ) compounds are presented. 相似文献
990.