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21.
Torshin Ivan Y.; Weber Irene T.; Harrison Robert W. 《Protein engineering, design & selection : PEDS》2002,15(5):359-363
Empirical criteria for identification of hydrogen bonds wereanalyzed to produce a set of geometrically consistent criteria.For a data set of 30 structures, application of a set of purelygeometrical criteria, along with exclusion of abnormal backboneconformations, also excluded a common interaction of Ser/Thrside chains with Asp/Glu side chains ([ST]/[DE] pairs). Theseinteractions were termed `bifurcated hydrogen bonds/', whichimplies delocalization of a positively charged hydrogen of hydroxylbetween the two acceptor atoms of the carboxylic group. These`bifurcated/' interactions are among the most common packingpatterns for [ST]/[DE] pairs of side chains. Therefore, theidentification of hydrogen bonds cannot be based on geometricalcriteria only and requires introduction of some physico-chemicalcriteria. 相似文献
22.
Glaucio H. Paulino Ivan F. M. Menezes Marcelo Gattass Subrata Mukherjee 《International journal for numerical methods in engineering》1994,37(9):1511-1530
A Finite Element Graph (FEG) is defined here as a nodal graph (G), a dual graph (G*), or a communication graph (G˙) associated with a generic finite element mesh. The Laplacian matrix ( L (G), L (G*) or L (G˙)), used for the study of spectral properties of an FEG, is constructed from usual vertex and edge connectivities of a graph. An automatic algorithm, based on spectral properties of an FEG (G, G* or G˙), is proposed to reorder the nodes and/or elements of the associated finite element mesh. The new algorithm is called Spectral PEG Resequencing (SFR). This algorithm uses global information in the graph, it does not depend on a pseudoperipheral vertex in the resequencing process, and it does not use any kind of level structure of the graph. Moreover, the SFR algorithm is of special advantage in computing environments with vector and parallel processing capabilities. Nodes or elements in the mesh can be reordered depending on the use of an adequate graph representation associated with the mesh. If G is used, then the nodes in the mesh are properly reordered for achieving profile and wavefront reduction of the finite element stiffness matrix. If either G* or G˙ is used, then the elements in the mesh are suitably reordered for a finite element frontai solver, A unified approach involving FEGs and finite element concepts is presented. Conclusions are inferred and possible extensions of this research are pointed out. In Part II of this work,1 the computational implementation of the SFR algorithm is described and several numerical examples are presented. The examples emphasize important theoretical, numerical and practical aspects of the new resequencing method. 相似文献
23.
We present an Extended Quadratic Frobenius Primality Test (EQFT), which is related to the Miller-Rabin test and to several
other known probabilistic tests. EQFT takes time equivalent to about two or three Miller-Rabin tests, but has a much smaller
error probability, namely 256/331776t for t iterations of the test in the worst case. We also give bounds on the average-case behaviour of the test: consider
the algorithm that repeatedly chooses random odd k bit numbers, subjects them to t iterations of our test and outputs the
first one found that passes all tests. We obtain numeric upper bounds for the error probability of this algorithm as well
as a general closed expression bounding the error. For instance, it is at most 2-155 for k = 500, t = 2. Compared with earlier similar results for the Miller-Rabin test, the results indicate that our test in
the average case has the effect of nine Miller-Rabin tests. We also give bounds for the error in case a prime is sought by
incremental search from a random starting point. 相似文献
24.
Jose Ivan Escalante-Garcia Victor M. Palacios-Villanueva Alexander V. Gorokhovsky Guillermo Mendoza-Suárez Antonio F. Fuentes 《Journal of the American Ceramic Society》2002,85(7):1788-1792
Mortars of blast furnace slag blended with a geothermal silica waste at various replacement levels of 0%, 5%, 10%, 15%, and 20% were cured for up to 90 days. The binder was activated by 6 wt% Na2 O equivalent of sodium hydroxide. Lime was added as an activating agent and also to promote pozzolanic reaction with the silica. It was found that the presence of the silica waste increased the reactivity of the cementitious materials, as measured by means of nonevaporable water. The compressive strength was increased in the presence of the silica, except at the highest replacement level of 20%, the optimum silica replacement was that of 5%–10%. The microstructures of blended slag showed less porosity than those of neat slag mortars. The lime was completely consumed after 90 days of hydration. 相似文献
25.
26.
The present work is to study the possibility for controlled distribution of the impurities when they are decomposed by sulphuric acid to wet phosphoric acid and phosphogypsum, as well as generating technological conditions for production of clean wet phosphoric acid and its derivatives - phosphoric fertilizers, food phosphates and other phosphoric products.A coefficient of distribution DA is introduced as a general criterion for elements dispersion. The study includes relationships between the weight ratio sulphuric acid/natural phosphate and DA; the period of decomposition and DA; the particle's size content of the natural phosphate and DA. The obtained experimental data and relationships about the influence of the above discussed technological parameters on dispersion of more than 23 elements allow for control of that process in wet phosphoric acid and phosphogypsum by selecting specific technological conditions. Thus, depending on the requirements of acid's consumers and procedures for secondary processing of phosphogypsum to end-products, a selective decomposition of the natural phosphates to phosphoric acid and phosphogypsum can be carried out with content of the impurities in those products varying in narrow limits. 相似文献
27.
Cunningham Stacey C.; Corrigan Sheila A.; Malow Robert M.; Smason Ivan H. 《Canadian Metallurgical Quarterly》1993,7(4):246
Assessed the differences between cocaine- and cocaine-plus-alcohol-dependent inpatients along several psychological variables. Of the 144 men that served as Ss, 113 were cocaine dependent and 31 were dependent on both cocaine and alcohol (CD-AD). CD-AD Ss showed significantly more symptoms of depression and anxiety and were more likely to have antisocial and avoidant personality disorders. The CD-AD group scored higher overall on the MMPI clinical scales. Results suggest that patients dependent on both cocaine and alcohol require increased attention to psychopathology during treatment. (PsycINFO Database Record (c) 2010 APA, all rights reserved) 相似文献
28.
Ivan Cimrák 《Archives of Computational Methods in Engineering》2007,15(3):277-309
The Landau-Lifshitz (LL)equation of micromagnetism governs rich variety of the evolution of magnetization patterns in ferromagnetic
media. This is due to the complexity of physical quantities appearing in the LL equation. This complexity causes also an interesting
mathematical properties of the LL equation: nonlocal character for some quantities,nonconvex side-constraints, strongly nonlinear
terms. These effects influence also the numerical approximations. In this work, recent developments on the approximation of
weak solutions, together with the overview of well-known methods for strong solutions,are addressed.
Author is supported by the Fund for Scientific Research - Flanders FWO (Belgium). 相似文献
29.
Ceilidh Mackie Jana Levison Andrew Binns Ivan O'Halloran 《Journal of Great Lakes research》2021,47(1):145-159
Nutrient export from agricultural land to surface waters is a significant environmental concern within the Great Lakes Basin (GLB). A field-based watershed-scale study was completed to investigate spatial and temporal variations of phosphorus and nitrate to assess nutrient transport pathways and groundwater-surface water interactions in an agriculturally dominated clay plain system. This was conducted in the 127 km2 Upper Parkhill Watershed, near Lake Huron in southwestern Ontario, Canada. Data collection occurred from June 2018 to May 2019 via continuous sensor deployment and discrete sampling of stream water, groundwater, hyporheic zone, and tile drainage water. Samples were analyzed for various nutrient species (total, total dissolved, soluble reactive, and particulate phosphorus, and nitrate-N) to examine the hydrological dynamics of principal transport pathways of agriculturally-derived nutrients. Total phosphorus and nitrate concentrations in stream water ranged from 0.007 to 0.324 mg/L and 0.32 to 13.13 mg NO3?-N/L, respectively. Tile drainage water total phosphorous concentrations varied from 0.006 to 0.066 mg/L. Groundwater total dissolved phosphorus concentrations ranged from <0.003 to 0.085 mg/L. Transport of phosphorus through tile drainage was observed to be greater than through groundwater over the study period. No distinct relationship was observed between nutrient concentrations in the hyporheic zone and the vertical hydraulic gradient within this zone in the studied stream reach. Preliminary correlations were discerned between water quality observations and recognized land management practices. Given the elevated stream nutrient concentrations, these results are consequential for the continual improvement of strategies and programs devised to conserve water resources within the GLB. 相似文献
30.
While face‐to‐face interaction is fundamental in agile software development, distributed environments must rely extensively on mediated interactions. Practicing agile principles in distributed environments therefore poses particular control challenges related to balancing fixed vs. evolving quality requirements and people vs. process‐based collaboration. To investigate these challenges, we conducted an in‐depth case study of a successful agile distributed software project with participants from a Russian firm and a Danish firm. Applying Kirsch's elements of control framework, we offer an analysis of how control was enacted through the project context and in the participants' mediated communication. The analysis reveals that formal measurement and evaluation control were persistently enacted through mediated communication. These formal control practices were, however, predominantly carried out in conjunction with informal roles and relationships such as clan‐like control inherent in agile development. Overall, the study demonstrates that, if appropriately applied, communication technologies can significantly support distributed, agile practices by allowing concurrent enactment of both formal and informal controls. The paper discusses these findings as they relate to previous research and concludes with their implications for future research. 相似文献