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21.
Breakdown of the adiabatic Born-Oppenheimer approximation in graphene   总被引:1,自引:0,他引:1  
The adiabatic Born-Oppenheimer approximation (ABO) has been the standard ansatz to describe the interaction between electrons and nuclei since the early days of quantum mechanics. ABO assumes that the lighter electrons adjust adiabatically to the motion of the heavier nuclei, remaining at any time in their instantaneous ground state. ABO is well justified when the energy gap between ground and excited electronic states is larger than the energy scale of the nuclear motion. In metals, the gap is zero and phenomena beyond ABO (such as phonon-mediated superconductivity or phonon-induced renormalization of the electronic properties) occur. The use of ABO to describe lattice motion in metals is, therefore, questionable. In spite of this, ABO has proved effective for the accurate determination of chemical reactions, molecular dynamics and phonon frequencies in a wide range of metallic systems. Here, we show that ABO fails in graphene. Graphene, recently discovered in the free state, is a zero-bandgap semiconductor that becomes a metal if the Fermi energy is tuned applying a gate voltage, Vg. This induces a stiffening of the Raman G peak that cannot be described within ABO.  相似文献   
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The objective of this article is to find out the influence of the parameters of the ARIMA-GARCH models in the prediction of artificial neural networks (ANN) of the feed forward type, trained with the Levenberg–Marquardt algorithm, through Monte Carlo simulations. The paper presents a study of the relationship between ANN performance and ARIMA-GARCH model parameters, i.e. the fact that depending on the stationarity and other parameters of the time series, the ANN structure should be selected differently. Neural networks have been widely used to predict time series and their capacity for dealing with non-linearities is a normally outstanding advantage. However, the values of the parameters of the models of generalized autoregressive conditional heteroscedasticity have an influence on ANN prediction performance. The combination of the values of the GARCH parameters with the ARIMA autoregressive terms also implies in ANN performance variation. Combining the parameters of the ARIMA-GARCH models and changing the ANN’s topologies, we used the Theil inequality coefficient to measure the prediction of the feed forward ANN.  相似文献   
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The paper is about some families of rewriting P systems, where the application of evolution rules is extended from the classical sequential rewriting to the parallel one (as, for instance, in Lindenmayer systems). As a result, consistency problems for the communication of strings may arise. Three variants of parallel rewriting P systems (already present in the literature) are considered here, together with the strategies they use to face the communication problem, and some parallelism methods for string rewriting are defined. We give a survey of all known results about each variant and we state some relations among the three variants, thus establishing hierarchies of parallel rewriting P systems. Various open problems related to the subject are also presented. Danicla Besozzi: She is assistant professor at the University of Milano. She received her M.S. in Mathematics (2000) from the University of Como and Ph.D. in Computer Science (2004) from the University of Milano. Her research interests cover topics in Formal Language Theory, Molecular Computing, Systems Biology. She is member of EATCS (European Association for Theoretical Computer Science) and EMCC (European Molecular Computing Consortium). Giancarlo Mauri: He is full professor of Computer Science at the University of Milano-Bicocca. His research interests are mainly in the area of theoretical computer science, and include: formal languages and automata, computational complexity, computational learning theory, soft computing techniques, cellular automata, bioinformatics and molecular computing. On these subjects, he published more than 150 scientific papers in international journals, contributed volumes and conference proceedings. Claudio Zandron: He received Ph.D. in Computer Science at the University of Milan, Italy, in 2001. Since 2002 he is assistant professor at the University of Milano-Bicocca, Italy. He is member of the EATCS (European Association for Theoretical Computer Science) and of EMCC (European Molecular Computing Consortium). His research interests are Molecular Computing (DNA and Membrane Computing) and Formal Languages.  相似文献   
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We present an approach for the automatic definition of the fuzzy rules for a fuzzy controller based on the use of the tabu search (TS) scheme. We show also how the application of the TS process to the learning of a fuzzy rule base can be improved using heuristic symbolic meta rules. The paper is divided in two parts. The first part presents an introduction to TS and different learning schemes which can be used to apply it for the determination of the fuzzy control rules. The second part illustrates the application of the proposed techniques to a specific control problem-the parking of a truck and trailer. In particular, Section V illustrates the definition of a rule base for a static fuzzy controller, while Section VI presents the construction of an adaptive parking controller  相似文献   
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Enrofloxacin is a synthetic second‐generation fluoroquinolone used as an antimicrobial agent exclusively in veterinary medicine. To simulate the treatment of wastewater contaminated by enrofloxacin, four‐day long fed‐batch runs were carried out according to the Fenton process with an enrofloxacin solution as model, to which hydrogen peroxide and ferrous ion were added twice a day. The residual enrofloxacin concentration was practically coincident to that detected at the end of the batch tests. Hydrogen peroxide was almost completely consumed after each feeding period, while the total organic carbon (TOC) concentration decreased gradually within three days, corresponding to a reduction > 58 %. From the third day on, the TOC falling rate was quite low. A yellow sludge settled due to the precipitation of both Fe(OH)3 and a complex formed by ferric ion with adsorbed enrofloxacin and/or its oxidation products.  相似文献   
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The methodology to create alginate and alginate/hyaluronic acid membranes, which involves wet conditions electrospinning, is presented in this paper. The wet conditions allow simultaneously to work in water solutions avoiding the toxic solvents and to obtain crosslinked alginate. An accurate rheological characterization of all solutions examined is performed. By optimizing the electrospinning parameters, it is possible to obtain alginate membranes with homogeneous nanofibers and a narrow diameter distribution (i.e., around 100 nm) as well as alginate/hyaluronic acid membranes characterized by a network of bimodal distribution of the dimensions, namely nanofibers with a diameter comparable to the ones of the alginate membrane, in which are blocked microfibers with a ribbon like appearance, as observed in the SEM images. In order to facilitate the electrospinning process, poly(ethylene oxide) is added to the solutions and then removed after membranes preparation, as demonstrated by the differential scanning calorimetry results, obtaining membranes made up only biopolymers. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46390.  相似文献   
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