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排序方式: 共有219条查询结果,搜索用时 9 毫秒
1.
Konstantinos Spyrou Matteo Calvaresi Evmorfia K. Diamanti Theodoros Tsoufis Dimitrios Gournis Petra Rudolf Francesco Zerbetto 《Advanced functional materials》2015,25(2):263-269
Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molecules prefer to covalently connect to the graphene oxide matrix via chemical grafting, while napthalene amine molecules bind with the graphene oxide surface through π–π interactions. The presence of intercalated aromatic molecules between the graphene oxide layers is demonstrated by X‐ray diffraction, while the type of interaction between graphene oxide and polycyclic organic molecules is elucidated by X‐ray photoelectron spectroscopy. Combined quantum mechanical and molecular mechanical calculations describe the intercalation mechanism and the aniline grafting, rationalizing the experimental data. The present work opens new perspectives for the interaction of various aromatic molecules with graphite oxide and the so‐called “intercalation chemistry”. 相似文献
2.
A higher-order unsplit-field perfectly matched layer for the reflectionless truncation of 3-D spherical FDTD lattices 总被引:1,自引:0,他引:1
Konstantinos P. Prokopidis Nikolaos V. Kantartzis Theodoros D. Tsiboukis 《Electrical Engineering (Archiv fur Elektrotechnik)》2002,84(4):173-187
An enhanced higher-order finite-difference time-domain (FDTD) method for the systematic implementation of 3-D reflectionless perfectly matched layers (PML) in spherical coordinates is presented. By establishing a topologically unsplit-field formulation, the novel technique introduces accurate nonstandard schemes that eliminate the notably intricate lattice dispersion errors. Moreover, the wider spatial increments are treated via self-adaptive compact operators, while a mesh expansion process yields a significant reduction of the absorber's depth. For the temporal variable, the proposed method employs a multistage leapfrog integration that guarantees stability and excitation universality. Hence, because of the optimal configuration of the new PML, it attains a critical annihilation of both propagating and spurious wave families, even for complicated domains. Numerical investigation verifies the superiority of the higher-order algorithm via several unbounded radiation and scattering spherical problems. 相似文献
3.
Theodoros Damoulas Author Vitae Mark A. Girolami Author Vitae 《Pattern recognition》2009,42(11):2671-2683
In this paper we offer a variational Bayes approximation to the multinomial probit model for basis expansion and kernel combination. Our model is well-founded within a hierarchical Bayesian framework and is able to instructively combine available sources of information for multinomial classification. The proposed framework enables informative integration of possibly heterogeneous sources in a multitude of ways, from the simple summation of feature expansions to weighted product of kernels, and it is shown to match and in certain cases outperform the well-known ensemble learning approaches of combining individual classifiers. At the same time the approximation reduces considerably the CPU time and resources required with respect to both the ensemble learning methods and the full Markov chain Monte Carlo, Metropolis-Hastings within Gibbs solution of our model. We present our proposed framework together with extensive experimental studies on synthetic and benchmark datasets and also for the first time report a comparison between summation and product of individual kernels as possible different methods for constructing the composite kernel matrix. 相似文献
4.
Angelos Dimas Anastasia Politi Alexandra Bargiota Theodoros Panoskaltsis Nikolaos F. Vlahos Georgios Valsamakis 《International journal of molecular sciences》2022,23(15)
Fetal exposure in adverse environmental factors during intrauterine life can lead to various biological adjustments, affecting not only in utero development of the conceptus, but also its later metabolic and endocrine wellbeing. During human gestation, maternal bone turnover increases, as reflected by molecules involved in bone metabolism, such as vitamin D, osteocalcin, sclerostin, sRANKL, and osteoprotegerin; however, recent studies support their emerging role in endocrine functions and glucose homeostasis regulation. Herein, we sought to systematically review current knowledge on the effects of aforementioned maternal bone biomarkers during pregnancy on fetal intrauterine growth and metabolism, neonatal anthropometric measures at birth, as well as on future endocrine and metabolic wellbeing of the offspring. A growing body of literature converges on the view that maternal bone turnover is likely implicated in fetal growth, and at least to some extent, in neonatal and childhood body composition and metabolic wellbeing. Maternal sclerostin and sRANKL are positively linked with fetal abdominal circumference and subcutaneous fat deposition, contributing to greater birthweights. Vitamin D deficiency correlates with lower birthweights, while research is still needed on intrauterine fetal metabolism, as well as on vitamin D dosing supplementation during pregnancy, to diminish the risks of low birthweight or SGA neonates in high-risk populations. 相似文献
5.
In this paper we provide an assessment of the water–energy nexus for Greece. More specifically, the amount of freshwater consumed per unit of energy produced is determined: for both conventional (lignite, diesel and fuel oil-fired) and advanced (combined operation of gas turbine) thermal power plants in the electricity generation sector; for extraction and refining activities in the primary energy production sector; and for the production of biodiesel that is used as a blend in the ultimately delivered automotive diesel fuel. In addition, the amount of electricity consumed for the purposes of water supply and sewerage is presented. In view of the expected effects of climate change in the Mediterranean region, the results of this study highlight the need for authorities to prepare a national strategy that will ensure climate resilience in both energy and water sectors of the country. 相似文献
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7.
Sotirios Karellas Dionysios Giannakopoulos Christina-Stavrula Hatzilau Ioannis Dolianitis Georgios Skarpetis Theodoros Zitounis 《Energy Efficiency》2018,11(5):1161-1175
The European Emissions Trading Scheme (EU ETS) covers approximately 45% of European greenhouse gases (GHGs), 11,000 stationary installations as well as aircraft operators. The EU ETS particularly affects the energy-intensive industries while it imposes a significant risk of “carbon leakage,” i.e., the risk of EU industry departing to countries with weaker restraints on GHG emissions. The EU glass industry, being capital intensive and also requiring long investment cycles, is the world’s largest glass producer with a market share close to one third of global production. Therefore, it is of significant importance to view the position of the EU ETS glass industry in terms of energy conservation possibilities. The present paper utilizes a vertical approach to provide information on both ETS market evolution and specific technical information to support technological innovation to the glass industry. EU ETS glass industry is analyzed regarding the balance between allocated European Union emission allowances (EUAs), verified CO2 emissions, and potential shortfall in allowances so as to determine the situation of glass industries and the extent of urge for energy-saving activities towards the strengthening of their position within the requirements of the EU ETS phase III. The replication potential of waste heat recovery (WHR) through batch preheating is specifically addressed since it is considered a promising technology according to the latest Best Available Techniques (BAT) reference document for the glass industry under Directive IED 2010/75/EU. A case study for a container glass furnace based on simulation results is presented investigating the impact of different operating and design configurations on specific energy consumption and CO2 emissions. 相似文献
8.
9.
Theodoros A. Papadopoulos Hong Li Eung-Gun Kim Jie Liu James A. Cella Christian M. Heller Andrew Shu Antoine Kahn Anil Duggal Jean-Luc Brédas 《Israel journal of chemistry》2014,54(5-6):779-788
At metal/organic interfaces, the insertion of an organic monolayer can significantly modify the surface properties of the substrate, especially in terms of charge injection across the interface. Herein, we study the formation of an insulating monolayer of morpholine or amine-functionalized polystyrene on Al(111) and Au(111) surfaces and its impact on surface work-function and charge injection. First-principles calculations based on Density Functional Theory have been carried out and point to a significant decrease in the work-function of modified metal surfaces; this is in very good agreement with ultraviolet photoemission spectroscopy measurements performed on the Au(111) surface. In addition, a bilayer cathode, consisting of a thin film of high-work-function metal, such as Al and Au, and a layer of amine-functionalized polystyrene, was also fabricated and tested in organic light-emitting diodes. Such bilayer structures exhibit substantially enhanced efficiency when compared with controls without the functionalized polymers. Our combined theoretical and experimental investigation gives insight into how a thin layer of a commodity polymer can be used to transform rather high-work-function metals into high-performance cathodes to provide efficient electron injection. 相似文献
10.