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81.
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Francisco‐Javier Sayas 《Numerical Methods for Partial Differential Equations》2003,19(5):555-570
This article presents and analyzes a simple method for the exterior Laplace equation through the coupling of finite and boundary element methods. The main novelty is the use of a smooth parametric artificial boundary where boundary elements fit without effort together with a straight approximate triangulation in the bounded area, with the coupling done only in nodes. A numerically integrated version of the algorithm is also analyzed. Finally, an isoparametric variant with higher order is proposed. © 2003 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 19: 555–570, 2003 相似文献
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在(NH4)3VS4/CuI/Py反应体系中合成了新化合物 [VS4Cu6(Py)8I3]并测定其晶体结构。该化合物(C40H40N8Cu6I3S4V)属正交晶系, 空间群为Fdd2, 晶胞参数为: a = 29.924(6), b = 13.475(3), c = 25.853(5) , V = 10425(4) ?, Dc = 2.006 g/cm3, Mr = 1573.92, Z = 8, (MoK) = 4.546 mm-1, F(000) = 6048。结构由直接法解出, 用全矩阵最小二乘法修正, 最终偏离因子R = 0.023, wR = 0.069。簇合物分子是由6个带端基配体的Cu沿着四面体单元VS4的6条SS边配位而成, 6个Cu排列成了1个八面体, V基本位于八面体的中心, 整个分子具有C2对称性。 相似文献
86.
We characterize the sequences of orthogonal polynomials on the unit circle whose derivatives are also orthogonal polynomials on the unit circle. Some relations for the sequences of derivatives of orthogonal polynomials are provided. Finally, we pose some problems about orthogonality-preserving maps and differential equations for orthogonal polynomials on the unit circle. 相似文献
87.
We analyze the critical length for design purposes of six-dimensional spaces invariant under translations and reflections
containing the functions 1, cos t and sin t. These spaces also contain the first degree polynomials as well as trigonometric and/or hyperbolic functions. We identify
the spaces whose critical length for design purposes is greater than 2π and find its maximum 4π. By a change of variables,
two biparametric families of spaces arise. We call shape preservation region to the set of admissible parameters in order
that the space has shape preserving representations for curves. We describe the shape preserving regions for both families.
To our friend Mariano Gasca on occasion of his 60th birthday
Research partially supported by the Spanish Research Grant MTM2006-03388, by Gobierno de Aragón and Fondo Social Europeo. 相似文献
88.
Inmaculada García Cuesta José Sánchez-Marín Alfredo M J Sánchez de Merás 《Chemphyschem》2006,7(2):508-513
Investigations into the charge-separated states and electron-transfer transitions in tetracyanoethylene (TCNE) complexes have recently generated much interest. In this work we present theoretical calculations showing that the most stable structure of the dianion TCNE2- has D2d symmetry in vacuum as well as in the solvents dichloromethane and acetonitrile. By means of the coupled cluster linear response, we compute the vertical electronic spectrum in both the gas phase and solution. The theoretical results are compared to the experimental data and good agreement is achieved. 相似文献
89.
It is shown that the presence of mixed-culture growth in batch fermentation processes can be very accurately inferred from total biomass data by means of the wavelet analysis for singularity detection. This is accomplished by considering simple phenomenological models for the mixed growth and the more complicated case of mixed growth on a mixture of substrates. The main quantity provided by the wavelet analysis is the Hölder exponent of the singularity that we determine for our illustrative examples. The numerical results point to the possibility that Hölder exponents can be used to characterize the nature of the mixed-culture growth in batch fermentation processes with potential industrial applications. Moreover, the analysis of the same data affected by the common additive Gaussian noise still lead to the wavelet detection of the singularities although the Hölder exponent is no longer a useful parameter. 相似文献
90.
J. Gañán J.F. González C.M. González-García A. Ramiro E. Sabio S. Román 《Applied Surface Science》2006,252(17):5988-5992
In this work the results obtained in the preparation and characterization of carbons made from almond tree pruning by non-catalytic and catalytic gasification (using K and Co) with air are analyzed and discussed. The main aim was to obtain high quality activated carbons at the lowest possible cost. The variables studied have been the temperature (190-260 °C) and the time (1-10 h) in non-catalytic gasification and the influence of the catalyst type (K and Co, 1 wt.% referred to cation, at 190 °C and 1 h) and the time (1-4 h) in catalytic gasification with Co at 190 °C. The air flow rate used in all the series was 167 cm3 min−1. In non-catalytic gasification the reaction normalized rate versus the conversion degree was maintained until a conversion value of 10% for the experiment made at 260 °C since, at lower temperatures, this rate drops quickly for low conversion values. The N2 adsorption isotherms for the carbons of this series resemble type I, although there is an increase of N2 adsorbed volume at relatively high pressures. A temperature rise produced an increase of the carbon porosity and BET specific surface (116-469 m2 g−1). The activation time has a positive effect on the N2 volume adsorbed by the carbons. The isotherms shapes were similar to those previously commented. A concentration equal to 1 wt.% was used to study the influence of the catalyst type. Under the studied experimental conditions, Co drives to a bigger porosity development than K, although with both catalysts a very similar pore size distribution is obtained. The activation time, in the gasifications catalyzed with Co, gives rise to a very important porosity development in the carbons. This produces a strong increase of the carbon specific surface area with very high values in the 4 h experiment, in which a BET specific surface of 959 m2 g−1 was obtained. 相似文献