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91.
Germán Bianchini Mónica Denham Ana Cortés Tomàs Margalef Emilio Luque 《Journal of computational science》2010,1(4):229-237
Several Data-Driven Methods have been developed to try to solve the input parameters uncertainty when considering problems like Wildfires Prediction. In general, these methods operate over a large number of input parameters, and consider the most recent known behavior of wildfires. The purpose of the methods is to find the parameter set that best describes the real situation under consideration. Therefore, it is presumed that the same set of values could be used to predict the immediate future.However, because this kind of prediction is based on a single set of parameters, for those parameters that present a dynamic behavior (e.g. wind direction and speed), the new optimized values are not adequate to make a prediction.In this paper we propose an alternative method developed in a new branch of Data-Driven Prediction, which we called Multiple Overlapping Solution. This method combines statistical concepts and HPC (High Performance Computing) to obtain a higher quality prediction. 相似文献
92.
It seems clear that energy production is one of the key aspects of global sustainability. Economic, social and environmental aspects must be taken into account in order to design appropriate policies and thus, multicriteria analysis becomes a very adequate tool to deal with real problems of this kind. This study was directed by the Regional Ministry of Environment of Andalucía, who wanted to know the impact on the cost and on the environmental damage of a potential mix, more focused on renewable sources. Some authorities of the Ministry acted as decision maker in the interactive process. As a result, we have built a linear multiobjective model, in order to determine the optimal electrical mix for the Spanish region of Andalucía. Namely, we determine how much electricity power should be installed and produced, by each of the eight generation systems considered (lignite, other coals, oil, natural gas, nuclear, photovoltaic, wind and mini-hydro). Apart from the economic criterion (yearly cost), we have considered the vulnerability (in terms of percentage of imported fuel) as a strategic criterion, and 12 environmental criteria, which have been derived using the Life Cycle Analysis method on the different production systems. The interactive system PROMOIN was used to solve the multiobjective problem. PROMOIN allows the decision maker to choose how to give preference information to the system, and enables changing it anytime during the solution process, which gives more flexibility to the decision maker and increases the confidence of the decision maker in the final solution. 相似文献
93.
Computational Optimization and Applications - In this paper, we analyze optimal control problems governed by an elliptic partial differential equation, in which the control acts as the Dirichlet... 相似文献
94.
Thomas F. Coleman Yuying Li Adrian Mariano 《Computational Optimization and Applications》2001,19(3):243-272
Total variation minimization (in the 1-norm) has edge preserving and enhancing properties which make it suitable for image segmentation. We present Image Simplification, a new formulation and algorithm for image segmentation. We illustrate the edge enhancing properties of 1-norm total variation minimization in a discrete setting by giving exact solutions to the problem for piecewise constant functions in the presence of noise. In this case, edges can be exactly recovered if the noise is sufficiently small. After optimization, segmentation is completed using edge detection. We find that our image segmentation approach yields good results when applied to the segmentation of pulmonary nodules. 相似文献
95.
The rate constant of the reaction of OH radicals with butyl acrylate was studied for the first time using an atmospheric simulation chamber at 298 K and ~750 Torr of air or nitrogen. The decay of the organics was followed using a gas chromatograph with a flame ionization detector (GC‐FID), and the rate constant was determined using a relative rate method with different references. The obtained average value of (1.80 ± 0.26) × 10?11 cm3 molecule?1 s?1 is in agreement with previous determinations of the rate constants of OH radicals with acrylates and methacrylates in the literature. Additionally, product identification under atmospheric conditions was performed for the first time by the GC‐MS technique. Butyl glyoxalate was observed as the degradation product in accordance with the addition of OH to the less substituted carbon atom of the double bond, followed by decomposition of the 1,2‐hydroxyalkoxy radicals formed. Room temperature rate coefficient was used to estimate the atmospheric lifetime of the ester studied. Reactivity trends are discussed in terms of the substituent effects and the length of the hydrogenated chain of the ester. The atmospheric persistence of BUAC was calculated taking into account the experimental rate constant obtained. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
96.
Cerruela García G Luque Ruiz I Gómez-Nieto MA 《Journal of chemical information and computer sciences》2002,42(6):1398-1406
With a view to reducing the computational cost of extracting all the cycles from complex graphs, the authors have examined the viability here of parallel processing. Based on the cyclical conjunction operator, which uses an iterative process to extract every cycle from a graph, a study was performed of the factors intervening in the parallelization of this algorithm, namely the following: granularity of the parallel algorithm, requirements for synchronization points, and the spreading of the load across different processors. Tests were performed on two granularities and four different load distributions. Algorithm implementation is carried out using SGI MP and OpenMP libraries, and, in the light of the present findings, the authors propose a dynamically distributed fine-grain algorithm using that allows all the cycles in a complex graph to be found in an acceptable computational time. 相似文献
97.
98.
Curutchet C Salichs A Barril X Orozco M Javier Luque F 《Journal of computational chemistry》2003,24(1):32-45
This study examines the transferability of fragmental contributions to the octanol/water partition coefficient. As a previous step, we report the parameterization of the AM1 and PM3 versions of the MST model for n-octanol. The final AM1 and PM3 MST models reproduce the experimental free energy of solvation and the octanol/water partition coefficient (log P(ow)) with a root-mean-square deviation of around 0.7 kcal/mol and 0.5 (in units of log P), respectively. Based on this parameterization, an NNDO-based procedure is presented to dissect the free energy of transfer between octanol and water in contributions directly associated with specific atoms or functional groups. The application of this procedure to a set of representative molecular systems illustrates the dependence of the log P(ow) fragmental contribution due to electronic, hydrogen bonding, and steric effects, which cannot be easily accounted for in simple additive-based empirical schemes. The results point out the potential use of theoretical methods to refine the fragmental contributions in empirical methods. 相似文献
99.
Nitrated polycyclic aromatic hydrocarbons have been extracted from both spiked and natural contaminated soils by using static pressurised liquid extraction. The variables governing the extraction (namely, pressure, extraction time, temperature and number of static extraction cycles) have been optimised using the experimental design methodology. A laboratory-made pressurised liquid extractor has been used allowing its coupling to a filtration-preconcentration system through a flow injection interface, thus providing a partially automated approach. Gas chromatography with MS-MS ion preparation mode has been used for individual separation-identification/quantification providing both high selectivity (no interferences were observed) and sensitivity (detection limits of low pg). The comparison of the proposed approach with the reference EPA Method 3540 has shown that both methods provide similar efficiencies but with dramatic saving of time by the former (30 min vs. 24 h). The use of water as leaching agent avoids the use of organic solvents, thus providing an environmentally friendly method. 相似文献
100.
A method for the determination of eugenol in spice samples based on the use of supported liquid membranes coupled to a flow system was developed. The solid sample is placed directly in the membrane unit without any treatment and the analyte is extracted from the sample, passes through the membrane and is conducted to the flow cell by the acceptor stream. This stream flows through the detector, allowing the measurement of the analyte by using a PVC-graphite composite electrode, versus Ag/AgCl/3 M KCl at +0.3 V, placed in a well-jet flow cell as amperometric detector. The method allowed the determination of eugenol in the range 0.5-30 micrograms ml-1 with a relative standard deviation of 5%. Results provided by the proposed procedure when applied to clove and seasoning samples agreed well with those obtained by a reference method. 相似文献