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61.
62.
In this paper we give sufficient conditions that guarantee the mean curvature flow with free boundary on a pinched cylinder develops a Type 2 curvature singularity. We additionally prove that Type 0 singularities may only occur at infinity. 相似文献
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64.
Yi-Ying Lin Bao-Dong Song Xiang-Ming Wang Cong-Cong Zhang Xiao-Cong Zhang Shi-Wei Sun Song-Hai Wu Hai-Tao Ren Shao-Yi Jia Yong Liu Xu Han 《应用有机金属化学》2020,34(9):e5735
Pyrite catalyzes oxidation of various organic contaminants by dissolved oxygen (DO) under acidic conditions; however, the catalytic mechanism under alkaline conditions is still not clear. In this study, we observe increased oxidation rates of aniline with increasing pHs (7.0–11.0). Electron paramagnetic resonance (EPR) analysis and quenching experiments rule out contributions of •OH, O2•−, 1O2 and Fe (IV) to aniline oxidation and suggest that the Fe (III)–OOH peroxo and/or H2O2 are the primary oxidative species in the oxidation of aniline at pH 11.0. In addition, 200 mg L−1 H2O2 does not apparently increase the oxidation rate of aniline, which also rules out the predominant contribution of the produced H2O2 to aniline oxidation. We therefore suggest that the Fe (III)–OOH peroxo is indeed the primary oxidative species in the pyrite–DO system under alkaline conditions. Analyses of solid total organic carbon (TOC), gas chromatography–mass spectrometry and Fourier-transform infrared spectroscopy further reveal that more than 83.3% aniline has been polymerized to polyaniline, instead of being mineralized into CO2 and H2O, indicating that H-abstraction from aniline by the Fe (III)–OOH peroxo is an important step in the oxidation of aniline under alkaline conditions. This study provides new insight into the oxidative species in the pyrite–DO system, and opens a new door for organic degradations under alkaline conditions. 相似文献
65.
Prof. Dr. Wilfred F. van Gunsteren Prof. Xavier Daura Dr. Patrick F. J. Fuchs Prof. Niels Hansen Prof. Dr. Bruno A. C. Horta Prof. Dr. Philippe H. Hünenberger Prof. Dr. Alan E. Mark Dr. Maria Pechlaner Prof. Dr. Sereina Riniker Prof. Dr. Chris Oostenbrink 《Chemphyschem》2021,22(3):264-282
Computer simulations of molecular systems enable structure-energy-function relationships of molecular processes to be described at the sub-atomic, atomic, supra-atomic or supra-molecular level and plays an increasingly important role in chemistry, biology and physics. To interpret the results of such simulations appropriately, the degree of uncertainty and potential errors affecting the calculated properties must be considered. Uncertainty and errors arise from (1) assumptions underlying the molecular model, force field and simulation algorithms, (2) approximations implicit in the interatomic interaction function (force field), or when integrating the equations of motion, (3) the chosen values of the parameters that determine the accuracy of the approximations used, and (4) the nature of the system and the property of interest. In this overview, advantages and shortcomings of assumptions and approximations commonly used when simulating bio-molecular systems are considered. What the developers of bio-molecular force fields and simulation software can do to facilitate and broaden research involving bio-molecular simulations is also discussed. 相似文献
66.
利用等离子增强原子层沉积技术(PEALD)在c面蓝宝石衬底上制备了氧化镓(Ga2O3)薄膜,研究了退火气氛(v(N2)∶v(O2)=1∶1(体积比)、空气和N2)及退火时间对Ga2O3薄膜晶体结构、表面形貌和光学性质的影响。研究结果表明,退火前的氧化镓处于亚稳态,不同退火气氛下退火后晶体结构发生明显改变,而且退火气氛中N2比例增加有利于Ga2O3重结晶。在N2气氛下退火达到30 min,薄膜结构已由亚稳态转变成择优取向的β-Ga2O3。而且表面形貌分析表明,退火30 min后表面形貌开始趋于稳定,表面晶粒密度不再增加。另外实验样品在 400~800 nm的平均透射率几乎是100%,且光吸收边陡峭。采用N2气氛退火,对于富氧环境下沉积的Ga2O3更利于薄膜表面原子迁移,以及择优取向Ga2O3重结晶。 相似文献
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68.
通过构造一个特殊的锥,利用范数形式的锥拉伸锥压缩不动点定理,在允许非线性项变号无下界且没有任何单调性假设的条件下,得出了一类高阶(k,n-k)共轭两点边值问题方程组正解的存在性结论. 相似文献
69.
In this paper, the authors consider the asymptotic synchronization of a linear dissipative system with multiple feedback dampings. They ?rst show that under the observability of a scalar equation, Kalman’s rank condition is su?cient for the uniqueness of solution to a complex system of elliptic equations with mixedobservations. The authors then establish a general theory on the asymptotic stability and the asymptotic synchronization for the corresponding evolutional system subjected to mixed dampings of various natures. Some classic models are presented to illustrate the ?eld of applications of the abstract theory. 相似文献
70.
Radial basis function (RBF)‐based parametric models for closed and open curves within the method of regularized stokeslets 下载免费PDF全文
The method of regularized Stokeslets (MRS) is a numerical approach using regularized fundamental solutions to compute the flow due to an object in a viscous fluid where inertial effects can be neglected. The elastic object is represented as a Lagrangian structure, exerting point forces on the fluid. The forces on the structure are often determined by a bending or tension model, previously calculated using finite difference approximations. In this paper, we study spherical basis function (SBF), radial basis function (RBF), and Lagrange–Chebyshev parametric models to represent and calculate forces on elastic structures that can be represented by an open curve, motivated by the study of cilia and flagella. The evaluation error for static open curves for the different interpolants, as well as errors for calculating normals and second derivatives using different types of clustered parametric nodes, is given for the case of an open planar curve. We determine that SBF and RBF interpolants built on clustered nodes are competitive with Lagrange–Chebyshev interpolants for modeling twice‐differentiable open planar curves. We propose using SBF and RBF parametric models within the MRS for evaluating and updating the elastic structure. Results for open and closed elastic structures immersed in a 2D fluid are presented, showing the efficacy of the RBF–Stokeslets method. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献