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91.
Solid‐state NMR study of spin finish of thermally treated PAN and PAN/CNT precursor fibers 下载免费PDF全文
Sushanta Ghoshal Yaodong Liu Prabhakar Gulgunje Kishor Gupta Han Gi Chae Johannes Leisen Satish Kumar 《应用聚合物科学杂志》2014,131(17)
Dry‐jet wet‐spun polyacrylonitrile (PAN) and PAN/carbon nanotubes (CNTs) precursor fibers coated by spin finishes were characterized using the solid‐state 1H nuclear magnetic resonance technique. Series of fiber samples were prepared upon thermal treatment at different temperatures (room temperature to 180°C). Using the Hahn echo sequence, relatively mobile components were identified and the effect of the heat treatment on those components was studied. It was observed that the mobile components are mainly the spin finishes. Heat treatment caused loss of one of the spin finishes (Type B) to a great extent (~80%), whereas the other two spin finishes (Type A and Type C) were more stable. Additional information regarding the change in molecular mobility due to heat treatment was obtained by the spin‐lattice relaxation time ( T1 ) analysis. It was found that the presence of CNT affects the T1 relaxation time of the polymer in the composite fiber, however, that of relatively mobile components remains unaffected. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 40734. 相似文献
92.
Lukas Hoehr Felix Reichmann Marius Berndt Johannes Sackmann Norbert Kockmann Werner Karl Schomburg 《化学工程与技术》2019,42(5):971-979
Microreactors offer several advantages compared to the industrial scale when developing new chemical processes. Especially the production and investment costs are low if polymer microreactors are generated by ultrasonic processes. In order to observe the chemical reaction and the flow configuration, these microreactors need to be optically transparent, mechanically stable, and chemically inert to several reagents. The manufacturing process of a transparent polymer plate reactor with a chemically inert surface coating by ultrasonic fabrication is described. Experimental characterization of the microreactors showed that they are leak tight up to a pressure difference of at least 300 kPa and the mixing times are in the range of milliseconds. 相似文献
93.
Synthesis,Chiral Separation,Absolute Configuration Assignment,and Biological Activity of Enantiomers of Retro‐1 as Potent Inhibitors of Shiga Toxin 下载免费PDF全文
Dr. Hajer Abdelkafi Dr. Aurélien Michau Alexandra Clerget David‐Alexandre Buisson Dr. Ludger Johannes Prof. Daniel Gillet Dr. Julien Barbier Dr. Jean‐Christophe Cintrat 《ChemMedChem》2015,10(7):1153-1156
The Shiga toxin (Stx) family is composed of related protein toxins produced by the bacteria Shigella dysenteriae and certain pathogenic strains of E. coli. No effective therapies for Stx intoxication have been developed yet. However, inhibitors that act on the intracellular trafficking of these toxins may provide new options for the development of therapeutic strategies. This study reports the synthesis, chromatographic separation, and pharmacological evaluation of the two enantiomers of Retro‐1, a compound active against Stx and other such protein toxins. Retro‐1 works by inhibiting retrograde transport of these toxins inside cells. In vitro experiments proved that the configuration of the stereocenter at position 5 is not crucial for the activity of this compound. X‐ray diffraction data revealed (S)‐Retro‐1 to be slightly more active than (R)‐Retro‐1. 相似文献
94.
One Question,Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists 下载免费PDF全文
Dr. Johannes Schiebel Nedyalka Radeva Dr. Helene Köster Dr. Alexander Metz Timo Krotzky Dr. Maren Kuhnert Prof. Wibke E. Diederich Prof. Andreas Heine Dr. Lars Neumann Dr. Cedric Atmanene Dominique Roecklin Dr. Valérie Vivat‐Hannah Dr. Jean‐Paul Renaud Dr. Robert Meinecke Dr. Nina Schlinck Dr. Astrid Sitte Franziska Popp Dr. Markus Zeeb Prof. Gerhard Klebe 《ChemMedChem》2015,10(9):1511-1521
Fragment‐based lead discovery is gaining momentum in drug development. Typically, a hierarchical cascade of several screening techniques is consulted to identify fragment hits which are then analyzed by crystallography. Because crystal structures with bound fragments are essential for the subsequent hit‐to‐lead‐to‐drug optimization, the screening process should distinguish reliably between binders and non‐binders. We therefore investigated whether different screening methods would reveal similar collections of putative binders. First we used a biochemical assay to identify fragments that bind to endothiapepsin, a surrogate for disease‐relevant aspartic proteases. In a comprehensive screening approach, we then evaluated our 361‐entry library by using a reporter‐displacement assay, saturation‐transfer difference NMR, native mass spectrometry, thermophoresis, and a thermal shift assay. While the combined results of these screening methods retrieve 10 of the 11 crystal structures originally predicted by the biochemical assay, the mutual overlap of individual hit lists is surprisingly low, highlighting that each technique operates on different biophysical principles and conditions. 相似文献
95.
Aryl Bis‐Sulfonamide Inhibitors of IspF from Arabidopsis thaliana and Plasmodium falciparum 下载免费PDF全文
Jonas Thelemann Dr. Boris Illarionov Dr. Konstantin Barylyuk Dr. Julie Geist Prof. Dr. Johannes Kirchmair Dr. Petra Schneider Lucile Anthore Katharina Root Dr. Nils Trapp Prof. Dr. Adelbert Bacher Dr. Matthias Witschel Prof. Dr. Renato Zenobi Prof. Dr. Markus Fischer Prof. Dr. Gisbert Schneider Prof. Dr. François Diederich 《ChemMedChem》2015,10(12):2090-2098
2‐Methylerythritol 2,4‐cyclodiphosphate synthase (IspF) is an essential enzyme for the biosynthesis of isoprenoid precursors in plants and many human pathogens. The protein is an attractive target for the development of anti‐infectives and herbicides. Using a photometric assay, a screen of 40 000 compounds on IspF from Arabidopsis thaliana afforded symmetrical aryl bis‐sulfonamides that inhibit IspF from A. thaliana (AtIspF) and Plasmodium falciparum (PfIspF) with IC50 values in the micromolar range. The ortho‐bis‐sulfonamide structural motif is essential for inhibitory activity. The best derivatives obtained by parallel synthesis showed IC50 values of 1.4 μm against PfIspF and 240 nm against AtIspF. Substantial herbicidal activity was observed at a dose of 2 kg ha?1. Molecular modeling studies served as the basis for an in silico search targeted at the discovery of novel, non‐symmetrical sulfonamide IspF inhibitors. The designed compounds were found to exhibit inhibitory activities in the double‐digit micromolar IC50 range. 相似文献
96.
Mingqiu Wu Johannes G. Khinast Stefan Radl 《American Institute of Chemical Engineers》2018,64(2):437-456
Wet fluidized beds of particles in small periodic domains are simulated using the CFD‐DEM approach. A liquid bridge is formed upon particle‐particle collisions, which then ruptures when the particle separation exceeds a critical distance. The simulations take into account both surface tension and viscous forces due to the liquid bridge. We perform a series of simulations based on different liquid bridge formation models: (1) the static bridge model of Shi and McCarthy, (2) a simple static version of the model of Wu et al., as well as (3) the full dynamic bridge model of Wu et al. We systematically compare the differences caused by different liquid bridge formation models, as well as their sensitivity to system parameters. Finally, we provide recommendations for which systems a dynamic liquid bridge model must be used, and for which application this appears to be less important. © 2017 American Institute of Chemical Engineers AIChE J, 64: 437–456, 2018 相似文献
97.
98.
New microporous hybrid organic/inorganic materials were obtained by modification of zeolites using chlorination of their surface,
followed by treatment with a Grignard reagent. Loading of butyl groups and retained crystallinity of ZSM-5 type zeolites was
higher than for zeolites Y. In contrast to zeolites Y, the lattice parameters of zeolites ZSM-5 increased after surface modification.
The obtained hybrid materials on the basis of high-silica zeolites possess a high degree of crystallinity at increased hydrophobicity. 相似文献
99.