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1.
We have studied the defect levels in as grown and post growth processed cadmium telluride (CdTe) using thermoelectric effect spectroscopy (TEES) and thermally stimulated current (TSC) techniques. We have extracted the thermal energy (Eth) and trapping cross section (σth) for the defect levels using the initial rise and variable heating rate methods. We have identified 10 different defect levels in the crystals. Thermal ionization energy values obtained experimentally were compared to theoretical values of the transition-energy levels of intrinsic and extrinsic defects and defect complexes in CdTe determined by first-principles band-structure calculations. On the basis of this comparison, we have associated the observed ionization levels with various native defects and impurity complexes.  相似文献   
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N-Amination of Isoquinoline Bases 3, 3-Pentamethylene oxaziridine 1 forms an N N-bond with secondary isoquinoline bases 2a – f to give the cyclohexylidene hydrazines 3a – f . In some cases nitrogen elimination yielding indane derivatives 13b, 13e competes with hydrazone formation. The cyclic Schiff'base 14 and the β-carboline derivative 16 can also be aminated.  相似文献   
4.
The recent success of using methyltin(IV) cations in constructing multidimensional structures containing the Au–CN–Sn link with interesting physical properties will be surveyed. The methyltin(IV)-dicyanoaurates, Me3Sn[Au(CN)2] (1) and Me2Sn[Au(CN)2]2 (2) containing the Au–CN–Sn link can be easily prepared by aqueous reaction of Me3SnCl or Me2SnCl2 with stoichiometric amounts of an aqueous solution of K[Au(CN)2]. The room temperature solid-state emission spectrum of 1 excited at 254 nm shows two intense emission bands at 442 and 670 nm, and a shoulder at 390 nm. When excited at 320 nm, the crystalline sample shows two intense emission bands at 442 and 720 nm, and a shoulder at 380 nm. After 2 min of grinding, only the blue emission band at 442 nm is observed. In contrast, the emission spectrum of 2 shows only one emission maximum at 422 nm. The porosity of 1 and 2 was probed by gas sorption measurements performed at 77 K. 1 exhibited no detectable microporosity as revealed by the inspection of the N2, H2, as well as, O2 isotherms. The gas adsorption studies reveal that only a small amount of N2 and H2 (3.82 and 4.66 cm3 g−1, respectively) is adsorbed by the framework of 2 at 77 K. However, a CO uptake of 11.20 cm3 g−1 can be reached at 1 atm. The framework of 2 can take up significant amounts of O2 (23.27 cm3 g−1). In addition to intriguing photoluminescence and gas sorption behavior, these complexes also exhibit ion exchange properties in the presence of bivalent transition metal cations, such as cobalt(II), nickel(II), copper(II), and zinc(II).  相似文献   
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In this study, we provide the first genetically verified distribution record beyond its native range of Ligula pavlovskii, a high-impact endoparasite of Ponto-Caspian gobies. According to parasitological surveys, ligulosis was detected for the first time in monkey goby individuals collected from Lake Balaton in 2004, 34 years after the first record of monkey goby in the lake. During a Lake Balaton survey in 2018, we detected tapeworms in 44.4% of the sampled monkey gobies. This prevalence is about two to ten times higher than it was reported from within the native range of the fish hosts. The same survey revealed an uneven spatial distribution of the ligulosis in the monkey gobies inhabiting different shoreline sections of the lake. We assume that the occurrence and recent distribution data of this high-impact endoparasite may provide useful information for potential biocontrol measures of invasive Ponto-Caspian gobies in the future.  相似文献   
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Calcium silicate ceramics were successfully prepared at various temperatures by spark plasma sintering technique (SPS) using two different compositions, and their morphological and structural characteristics were thoroughly analyzed and compared by scanning electron microscope, X-ray diffraction, and apparent density measurements. The effect of the sintering method and temperature on microstructural properties has also been studied. The sintered samples prepared by SPS through a heat input of 800°C showed the highest densification as results 800°C was suggested as optimum sintering temperature. Different phases presented in pseudo-wollastonite, wollastonite, and triclinic Ca3(SiO4)O have been observed in the case of 50C50C with lowest porosity and highest density 2.6 g/cm3, whereas the composition 10C90S resulted in a fully amorphous material presented in granular microstructure with density of 1.7 g/cm3.  相似文献   
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In this study, the photoelectrochemical behavior of electrodeposited FeNiOOH/Fe2O3/graphene nanohybrid electrodes is investigated, which has precisely controlled structure and composition. The photoelectrode assembly is designed in a bioinspired manner where each component has its own function: Fe2O3 is responsible for the absorption of light, the graphene framework for proper charge carrier transport, while the FeNiOOH overlayer for facile water oxidation. The effect of each component on the photoelectrochemical behavior is studied by linear sweep photovoltammetry, incident photon‐to‐charge carrier conversion efficiency measurements, and long‐term photoelectrolysis. 2.6 times higher photocurrents are obtained for the best‐performing FeNiOOH/Fe2O3/graphene system compared to its pristine Fe2O3 counterpart. Transient absorption spectroscopy measurements reveal an increased hole‐lifetime in the case of the Fe2O3/graphene samples. Long‐term photoelectrolysis measurements in combination with Raman spectroscopy, however, prove that the underlying nanocarbon framework is corroded by the photogenerated holes. This issue is tackled by the electrodeposition of a thin FeNiOOH overlayer, which rapidly accepts the photogenerated holes from Fe2O3, thus eliminating the pathway leading to the corrosion of graphene.  相似文献   
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The increase of computer performance continues to support the practice of large-scale optimization. Computers with multiple computing cores and vector processing capabilities are now widely available. We investigate how the recently introduced Advanced Vector Instruction (AVX) set on Intel-compatible architectures can be exploited in interior point methods for linear and nonlinear optimization. We focus on data structures and implementation techniques that utilize the new vector instructions. Our numerical experiments demonstrate that the AVX instruction set provides a significant performance boost in our implementation on large-scale problem that have significant fill-in in the sparse Cholesky factorization, achieving up to 100 gigaflops performance on a standard desktop computer on linear optimization problems for which the required Cholesky factorization is relatively dense.  相似文献   
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The human genome codes only a few thousand druggable proteins, mainly receptors and enzymes. While this pool of available drug targets is limited, there is an untapped potential for discovering new drug-binding mechanisms and modes. For example, enzymes with long binding cavities offer numerous prerequisite binding sites that may be visited by an inhibitor during migration from a bulk solution to the destination site. Drug design can use these prerequisite sites as new structural targets. However, identifying these ephemeral sites is challenging. Here, we introduce a new method called NetBinder for the systematic identification and classification of prerequisite binding sites at atomic resolution. NetBinder is based on atomistic simulations of the full inhibitor binding process and provides a networking framework on which to select the most important binding modes and uncover the entire binding mechanism, including previously undiscovered events. NetBinder was validated by a study of the binding mechanism of blebbistatin (a potent inhibitor) to myosin 2 (a promising target for cancer chemotherapy). Myosin 2 is a good test enzyme because, like other potential targets, it has a long internal binding cavity that provides blebbistatin with numerous potential prerequisite binding sites. The mechanism proposed by NetBinder of myosin 2 structural changes during blebbistatin binding shows excellent agreement with experimentally determined binding sites and structural changes. While NetBinder was tested on myosin 2, it may easily be adopted to other proteins with long internal cavities, such as G-protein-coupled receptors or ion channels, the most popular current drug targets. NetBinder provides a new paradigm for drug design by a network-based elucidation of binding mechanisms at an atomic resolution.  相似文献   
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In recent years, there has been considerable interest in icariin (ICA) and its derivates, icariside II (ICS) and icaritin (ICT), due to their wide range of potential applications in preventing cancer, cardiovascular disease, osteoporosis, delaying the effects of Alzheimer’s disease, treating erectile dysfunction, etc. However, their poor water solubility and membrane permeability, resulting in low bioavailability, dampens their potential beneficial effects. In this regard, several strategies have been developed, such as pharmaceutical technologies, structural transformations, and absorption enhancers. All these strategies manage to improve the bioavailability of the above-mentioned flavonoids, thus increasing their concentration in the desired places. This paper focuses on gathering the latest knowledge on strategies to improve bioavailability for enhancing the efficacy of icariin, icariside II, and icaritin. We conclude that there is an opportunity for many further improvements in this field. To the best of our knowledge, no such review articles scoping the bioavailability improvement of icariin and its derivates have been published to date. Therefore, this paper can be a good starting point for all those who want to deepen their understanding of the field.  相似文献   
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