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91.
A new approach for design of improved interfacial bonding between carbon fibers and polymeric matrices is described. In this method the affinity of surface-treated carbon fibers to various polymer matrices is simulated by analyzing the adsorption characteristics of model compounds, typical of the polymer units, onto very high surface area carbon fibers. The affinity can be evaluated by the use of Thermogravimetric Analysis (TGA) to measure adsorption–desorption characteristics. Since high surface area, activated carbon fibers (ACF) can be chemically treated to obtain acidic, basic, nonpolar or highly polar surfaces, it should be possible to assess the interactions of chemically modified surfaces with model compounds such as methanol (MeOH), acetone, dimethylformamide (DMF), dimethylether, tetrahydrofuran (THF) and water. Some preliminary results are presented, indicating that surface treatments for carbon fibers other than oxidation may lead to enhanced bonding with polymeric matrices. 相似文献
92.
The synthesis of ( - ) 2S,3S,11S,12R-2, 3,11,12-tetraphenyl [18]-crown-6 from (-)-1S,2S-hydrobenzoin and meso-hydrobenzoin is described. Chemical shifts and vicinal coupling constants of the benzylic protons in the 2 S, 3 S and 11 S,12 R substructures in the free ligands and in complexes with KSCN and 1-phenylethylammonium bromides and a brief discussion of the related conformational changes are also presented. A detailed procedure for the resolution of racemic hydrobenzoin is given. 相似文献
93.
Reactive constituents have been investigated in a molecular beam generated in the cathode surface glow area and surface boundary layer. Mixtures of nitrogen and hydrogen form NHx(x=0–4) compounds, which are of relevance in heterogeneous, plasma vs. metal nitriding reactions. Ammonia decomposition leads to NHx(x=2–4). Strong cataphoretic enrichment of hydrogen has been observed in the cathode glow area. Heterogeneous reactions of NHx with iron lead to the formation of iron nitrides via intermediates such as FeNH2–3. In a pulsed d.c. glow discharge, increased sputtering and decreased hydrogen enrichment have been observed. 相似文献
94.
Vijayasarathi Nagarajan Barbara Müller Oksana Storcheva Klaus Köhler Andreas Pöppl 《Research on Chemical Intermediates》2007,33(8):705-724
Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)2) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin
echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data
of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental
and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)2 and chloroform interacts via hydrogen bonding to oxygens of the acac ligands. 相似文献
95.
Numerical Algorithms - A two-step quadratic spline collocation method is formulated for the solution of the Dirichlet biharmonic problem on the unit square rewritten as a coupled system of two... 相似文献
96.
Klaus-Werner Brzezinka Peter Reich Andreas Hampe Eckhard Schulz 《Fresenius' Journal of Analytical Chemistry》1995,352(5):486-488
An example is given for the application of Raman spectroscopy in material characterization. Raman spectra of carbonaceous materials obtained with the microscope attachment have been used to study orientation of graphite planes in a single carbon fibre under stress with a lateral resolution of 1 m.Dedicated to Professor Dr. H. Kriegsmann on the occasion of his 70th birthday 相似文献
97.
The job-shop problem is one of the most difficult NP-hard scheduling problems. A 10×10-problem published in 1963 has been solved only recently by Carlier and Pinson using a branch and bound method. Other branch and bound algorithms have been developed recently. The efficiency of all these branch and bound methods relies on the concept of immediate selection which allows to introduce order relations on the setI of all operations to be processed on the same machine before branching. We present new algorithms for immediate selection. Among them are
- anO(max {n logn,f})-algorithm for fixing all disjunctions induced by cliques;
- anO(n 2)-algorithm based on concepts which are different from those used by Carlier and Pinson.
98.
The characterisation and optimisation of an optical immunoassay with label free detection based on Reflectometric Interference Spectroscopy (RIfS) is presented. The immunoprobe is operated in a sequential scheme, where Fab-fragments react with analyte molecules in a first step. In a second step the optical transducer is used to quantify the amount of unoccupied Fab- fragments in the reaction mixture binding to the hapten-modified transducer surface. For optimisation of the test, the Fab-fragment concentration was varied between 2x10(-8) mol/l and 2.5x 10(-9) mol/l. Down to a concentration of 5x10(-9) mol/l a reduction in the limit of detection has been observed. At the lowest concentration investigated no further improvement has been found due to a reduced binding of the analyte and a strong decrease of antibody binding at the transducer surface. This finding could be explained by the thermodynamics of the antigen-antibody reaction and the performance of the optical transducer used. The limit of detection obtained is discussed with respect to thermodynamics, transducer characteristics and immunoprobe test format. 相似文献
99.
100.
The COSMO-RS method, originally developed for the prediction of liquid-liquid and liquid-vapor equilibrium constants based on quantum chemical calculations, has been extended to solid compounds by addition of a heuristic expression for the Gibbs free energy of fusion. By this addition, COSMO-RS is now capable of a priori prediction of aqueous solubilities of a wide range of typical neutral drug and pesticide compounds. Only three parameters in the heuristic expression have been fitted on a data set of 150 drug-like compounds. On these data an rms deviation of 0.66 log-units was achieved. Later, the model was tested on a set of 107 pesticides, which have been critically selected based on two experimental data sources and by a crosscheck with an independent HQSAR model. On this data set an rms of 0.61 log-units was achieved, without any adjustments to the structurally extremely diverse pesticides. This result verifies the ability of this extended COSMO-RS to predict aqueous solubilities of drugs and pesticides of almost arbitrary structural classes. The new method is COSMO-RSol. 相似文献