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91.
García F Less RJ McPartlin M Michalski A Mulvey RE Naseri V Stead ML Morán de Vega A Wright DS 《Chemical communications (Cambridge, England)》2011,47(6):1821-1823
The structures of a series of spherical host-guest complexes [{MeE(PPh)(3)Li(4)·3thf}(4)(μ(4)-X)](-) (E = Al, [1X](-); E = Ga, [2X](-); E = In, [3X](-)) reveal that changing the halide ions (X = Cl, Br, or I) within their central tetrahedral Li(4) sites has negligible effect on the structural parameters. 相似文献
92.
Allison Talley Annette F. Kelley Marcus R. Bond 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(12):m395-m399
The title compound, {(C3H10N)4[Ni3Cl10]}n, contains zigzag layers of tri‐μ‐chlorido‐bridged linear 2/m‐symmetric Ni3Cl12 segments, linked by mono‐μ‐chlorido quasi‐linear bridges to two other segments at each end. These inorganic layers are interleaved with interdigitated bilayers of mirror‐symmetric n‐propylammonium cations, the ammonium head groups of which are directed into the inorganic layers to form multiple N—H...Cl hydrogen bonds, while the propyl tail groups pack together in a tongue‐and‐groove manner in the center of the bilayer. The propyl groups are ordered at 100 K but disordered with opposite conformations on the mirror plane at 240 K. 相似文献
93.
Roman Major Grayna Wilczek Justyna Wicek Maciej Gawlikowski Hanna Plutecka Katarzyna Kasperkiewicz Marcin Kot Magorzata Pomorska Roman Ostrowski Magdalena Kopernik 《Molecules (Basel, Switzerland)》2022,27(17)
The aim of this study was to minimize the risk of life-threatening thromboembolism in the ventricle through the use of a new biomimetic heart valve based on metal–polymer composites. Finite volume element simulations of blood adhesion to the material were carried out, encompassing radial flow and the cone and plane test together with determination of the effect of boundary conditions. Both tilt-disc and bicuspid valves do not have optimized blood flow due to their design based on rigid valve materials (leaflet made of pyrolytic carbon). The main objective was the development of materials with specific properties dedicated to contact with blood. Materials were evaluated by dynamic tests using blood, concentrates, and whole human blood. Hemostability tests under hydrodynamic conditions were related to the mechanical properties of thin-film materials obtained from tribological tests. The quality of the coatings was high enough to avoid damage to the coating even as they were exposed up to maximum loading. Analysis towards blood concentrates of the hydrogenated carbon sample and the nitrogen-doped hydrogenated carbon sample revealed that the interaction of the coating with erythrocytes was the strongest. Hemocompatibility evaluation under hydrodynamic conditions confirmed very good properties of the developed coatings. 相似文献
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95.
Alexander Ostrowski 《Mathematische Annalen》1919,79(4):360-387
Ohne ZusammenfassungHerrn Gebeimaat Prof. Dr. FscF. Klein 相似文献
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98.
Annette Ostrowski Jrg Jeske Frank Ruthe Peter G. Jones Rainer Streubel 《无机化学与普通化学杂志》1997,623(12):1897-1902
Synthesis and Spectroscopic Characterization of some Pentacarbonyltungsten(0) Complexes with Various 1H-Phosphirene Ligands: Crystal Structures of , and The tungsten(0) complex 1 reacts upon heating with acetylene derivatives 2a–f in toluene to form benzonitrile and the complexes 4a–f ( 4a : R1 ? Ph, R2 ? H; 4b : R1 ? Ph, R2 ? CH3; 4c : R1 ? OEt, R2 ? H; 4d : R1 ? Ph, R2 ? CO2Et; 4e : R1, R2 ? CO2Me; 4f : R1, R2 ? SiMe3), which have been isolated by chromatography. Spectroscopic and mass spectrometric data are discussed. The crystal structures of the compounds 4a, b and d were determined by X-ray single crystal structure analysis ( 4a : space group P21/n, Z = 4, a = 937,5(2) pm, b = 2202,4(6) pm, c = 1266,3(4) pm, β = 108,94(4)°; 4b : space group P21/c, Z = 4, a = 1293,9(2) pm, b = 923,5(1) pm, c = 2223,4(3) pm, β = 92,385(6)°; 4d : space group P21/c, Z = 4, a = 955,2(2) pm, b = 3190,9(4) pm, c = 930,7(2) pm, β = 99,64(1)°). 相似文献
99.
Alexander Vogel Mathias Bosse Marcel Gauglitz Sarah Wistuba Peter Schmidt Anette Kaiser Vsevolod V. Gurevich Annette G. Beck-Sickinger Peter W. Hildebrand Daniel Huster 《Molecules (Basel, Switzerland)》2020,25(23)
We report data on the structural dynamics of the neuropeptide Y (NPY) G-protein-coupled receptor (GPCR) type 1 (Y1R), a typical representative of class A peptide ligand GPCRs, using a combination of solid-state NMR and molecular dynamics (MD) simulation. First, the equilibrium dynamics of Y1R were studied using 15N-NMR and quantitative determination of 1H-13C order parameters through the measurement of dipolar couplings in separated-local-field NMR experiments. Order parameters reporting the amplitudes of the molecular motions of the C-H bond vectors of Y1R in DMPC membranes are 0.57 for the Cα sites and lower in the side chains (0.37 for the CH2 and 0.18 for the CH3 groups). Different NMR excitation schemes identify relatively rigid and also dynamic segments of the molecule. In monounsaturated membranes composed of longer lipid chains, Y1R is more rigid, attributed to a higher hydrophobic thickness of the lipid membrane. The presence of an antagonist or NPY has little influence on the amplitude of motions, whereas the addition of agonist and arrestin led to a pronounced rigidization. To investigate Y1R dynamics with site resolution, we conducted extensive all-atom MD simulations of the apo and antagonist-bound state. In each state, three replicas with a length of 20 μs (with one exception, where the trajectory length was 10 μs) were conducted. In these simulations, order parameters of each residue were determined and showed high values in the transmembrane helices, whereas the loops and termini exhibit much lower order. The extracellular helix segments undergo larger amplitude motions than their intracellular counterparts, whereas the opposite is observed for the loops, Helix 8, and termini. Only minor differences in order were observed between the apo and antagonist-bound state, whereas the time scale of the motions is shorter for the apo state. Although these relatively fast motions occurring with correlation times of ns up to a few µs have no direct relevance for receptor activation, it is believed that they represent the prerequisite for larger conformational transitions in proteins. 相似文献
100.