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1.
B. Szafran P. S
p J. Adamowski S. Bednarek 《Physica E: Low-dimensional Systems and Nanostructures》2003,18(4):523-529
We present a theoretical study of the charging spectra in natural and artificial atoms. We apply a model electrostatic potential created by a homogenously charged sphere. This model potential allows for a continuous passage from the Coulomb potential of the nucleus to parabolic confinement potential of quantum dots. We consider electron systems with N=1,…,10 electrons with the use of the Hartree–Fock method. We discuss the qualitative similarities and differences between the chemical potential spectrum of electron systems bound to nucleus and confined in quantum dots. 相似文献
2.
本文通过对大量的黄酮类化合物13C NMR图谱的分析和研究,总结了不同类型的黄酮类化合物的13C NMR图谱特征及化学位移规律.对影响黄酮类化合物结构骨架上不同位置碳原子化学位移的因素进行了分析,建立了用于黄酮类天然产物13C NMR图谱智能解析的知识库. 相似文献
3.
Huseyin Ince 《Computational Management Science》2006,3(2):161-174
The nature of the financial time series is complex, continuous interchange of stochastic and deterministic regimes. Therefore,
it is difficult to forecast with parametric techniques. Instead of parametric models, we propose three techniques and compare
with each other. Neural networks and support vector regression (SVR) are two universally approximators. They are data-driven
non parametric models. ARCH/GARCH models are also investigated. Our assumption is that the future value of Istanbul Stock
Exchange 100 index daily return depends on the financial indicators although there is no known parametric model to explain
this relationship. This relationship comes from the technical analysis. Comparison shows that the multi layer perceptron networks
overperform the SVR and time series model (GARCH). 相似文献
4.
四种多变量校准方法在FTIR多组分分析中的性能比较 总被引:1,自引:0,他引:1
本文对四种多变量校准方法--经典最小二乘法(CLS),偏最小二乘法(PLS),卡尔曼滤波法(KFM)以及人工神经网络法(ANN)--在多组分浓度分析方面的性能进行了比较。选择五种红外谱图严重混叠的大气有机毒物--1,3-丁二烯,苯,邻二甲苯,氯苯和丙烯醛--作为分析对象。分别计算各种方法对该5组分体系的平均预测误差MPE和平均相对误差MRE进行比较。结果表明,偏最小二乘法在处理这类问题中是最稳健的方法。 相似文献
5.
The self-organizing map (a neural network) was applied to the spectral pattern recognition of voice quality in 34 subjects: 15 patients operated on because of insufficient glottal closure and 19 subjects not treated for voice disorders. The voice samples, segments of sustained /a/, were perceptually rated by six experts. A self-organized acoustic feature map was first computed from tokens of /a/ and then used for the analysis of the samples. The locations of the samples on the map were determined and the distances from a normal reference were compared with the perceptual ratings. The map locations corresponded to the degree of audible disorder: the samples judged as normal were overlapping or close to the normal reference, whereas the samples judged as dysphonie were located further away from it. The comparison of pre- and postoperative samples of the patients showed that the perceived improvement of voice quality was also detected by the map. 相似文献
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用人工神经网络和多元回归方法对含2个碳的21个卤代化合物的35个化学位移进行计算机图像模拟,结果表明,人工神经网络方法优于多元回归方法,同时此种方法处理这类问题有明显的优势,波谱模拟技术在有机化合物结构解析中是非常有用的方法。 相似文献
8.
人工神经网络及其在分析化学中的应用 总被引:31,自引:1,他引:31
人工神经网络是一种新兴的计算方法,有着广阔的发展前途,目前在分析化学领域已经有了多方面的应用。本文简要介绍了人工神经网络的原理及其在分析化学中的应用。 相似文献
9.
10.
Andrew R. Leach Keith Prout Daniel P. Dolata 《Journal of computer-aided molecular design》1988,2(2):107-123
Summary The results of a wide-ranging investigation into some of the different methods available for performing the joining of templates to build molecular models show that the choice of algorithm can significantly affect the quality of the results obtained, and different algorithms are most suited to particular categories of join. 相似文献