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Vincent Maurice 《Surface science》2005,581(1):88-104
STM, STS, LEED and XPS data for crystalline θ-Al2O3 and non-crystalline Al2O3 ultra-thin films grown on NiAl(0 0 1) at 1025 K and exposed to water vapour at low pressure (1 × 10−7-1 × 10−5 mbar) and room temperature are reported. Water dissociation is observed at low pressure. This reactivity is assigned to the presence of a high density of coordinatively unsaturated cationic sites at the surface of the oxide film. The hydroxyl/hydroxide groups cannot be directly identify by their XPS binding energy, which is interpreted as resulting from the high BE positions of the oxide anions (O1s signal at 532.5-532.8 eV). However the XPS intensities give evidence of an uptake of oxygen accompanied by an increase of the surface coverage by Al3+ cations, and a decrease of the concentration in metallic Al at the alloy interface. A value of ∼2 for the oxygen to aluminium ions surface concentration ratio indicates the formation of an oxy-hydroxide (AlOxOHy with x + y ∼ 2) hydroxylation product. STM and LEED show the amorphisation and roughening of the oxide film. At P(H2O) = 1 × 10−7 mbar, only the surface of the oxide film is modified, with formation of nodules of ∼2 nm lateral size covering homogeneously the surface. STS shows that essentially the valence band is modified with an increase of the density of states at the band edge. With increasing pressure, hydroxylation is amplified, leading to an increased coverage of the alloy by oxy-hydroxide products and to the formation of larger nodules (∼7 nm) of amorphous oxy-hydroxide. Roughening and loss of the nanostructure indicate a propagation of the reaction that modifies the bulk structure of the oxide film. Amorphisation can be reverted to crystallization by annealing under UHV at 1025 K when the surface of the oxide film has been modified, but not when the bulk structure has been modified. 相似文献
54.
A new grid‐free upwind relaxation scheme for simulating inviscid compressible flows is presented in this paper. The non‐linear conservation equations are converted to linear convection equations with non‐linear source terms by using a relaxation system and its interpretation as a discrete Boltzmann equation. A splitting method is used to separate the convection and relaxation parts. Least squares upwinding is used for discretizing the convection equations, thus developing a grid‐free scheme which can operate on any arbitrary distribution of points. The scheme is grid free in the sense that it works on any arbitrary distribution of points and it does not require any topological information like elements, faces, edges, etc. This method is tested on some standard test cases. To explore the power of the grid‐free scheme, solution‐based adaptation of points is done and the results are presented, which demonstrate the efficiency of the new grid‐free scheme. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
55.
Kenneth Weber Vilmar Trevisan Luiz Felipe Martins 《Journal of Algorithms in Cognition, Informatics and Logic》2005,54(2):152-167
This paper describes the first algorithm to compute the greatest common divisor (GCD) of two n-bit integers using a modular representation for intermediate values U, V and also for the result. It is based on a reduction step, similar to one used in the accelerated algorithm [T. Jebelean, A generalization of the binary GCD algorithm, in: ISSAC '93: International Symposium on Symbolic and Algebraic Computation, Kiev, Ukraine, 1993, pp. 111–116; K. Weber, The accelerated integer GCD algorithm, ACM Trans. Math. Softw. 21 (1995) 111–122] when U and V are close to the same size, that replaces U by (U−bV)/p, where p is one of the prime moduli and b is the unique integer in the interval (−p/2,p/2) such that . When the algorithm is executed on a bit common CRCW PRAM with O(nlognlogloglogn) processors, it takes O(n) time in the worst case. A heuristic model of the average case yields O(n/logn) time on the same number of processors. 相似文献
56.
基于改进遗传算法的布局优化子问题 总被引:2,自引:0,他引:2
本针对子问题,构造了布局子问题(关于同构布局等价类)的改进遗传算法。将该算法应用于二维布局优化子问题,数值实验表明该算法能够在很好地保持图元的邻接关系的前提下找到子问题的最优解。由于布局优化问题可分解为有限个子问题,所以利用该算法可以找到整个布局优化问题的全局最优解。 相似文献
57.
This paper presents a unified analysis of decomposition algorithms for continuously differentiable optimization problems defined on Cartesian products of convex feasible sets. The decomposition algorithms are analyzed using the framework of cost approx imation algorithms. A convergence analysis is made for three decomposition algorithms: a sequential algorithm which extends the classical Gauss-Seidel scheme, a synchronized parallel algorithm which extends the Jacobi method, and a partially asynchronous parallel algorithm. The analysis validates inexact computations in both the subproblem and line search phases, and includes convergence rate results. The range of feasible step lengths within each algorithm is shown to have a direct correspondence to the increasing degree of parallelism and asynchronism, and the resulting usage of more outdated information in the algorithms. 相似文献
58.
本文引入并研究一类新的广义集值强非线性拟变分不等式,讨论这类广义集值强非线性拟变分不等式解的存在性以及由算法所构造的迭代序列的收敛性.我们的结果改进和发展了Noor,Siddiqi和Ansari等人近期的一些主要结果. 相似文献
59.
神经网络法计算镉(Ⅱ),羟基及碳酸根三元体系的形态分布 总被引:2,自引:0,他引:2
采用前馈线笥网络BP算法,计算了Cd62+-OH^-CO^2-3三元体系的累积稳定常数。用Hopfield反馈网络研究了体系中络合物的形态分布。溶液中溶解的CO2对lgβ1的计算结果有重要影响,对lgβ2,lgβ3,lgβ4的结果影响不大。 相似文献
60.
本文在A.Blanco等人的算法的基础上,提出了max-min神经网络的一种改进了的反馈学习算法,严格证明了该算法的迭代收敛性,理论分析及实例计算结果均表明,本文算法具有算法简单,收敛速度快,输出误差小等显著特点。 相似文献