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171.
Adam Kiersnowski Jochen S. Gutmann Jacek Pigłowski 《Journal of Polymer Science.Polymer Physics》2007,45(17):2350-2367
ε‐caprolactone was polymerized in the presence of neat montmorillonite or organomontmorillonites to obtain a variety of poly(ε‐caprolactone) (PCL)‐based systems loaded with 10 wt % of the silicates. The materials were thoroughly investigated by different X‐ray scattering techniques to determine factors affecting structure of the systems. For one of the nanocomposites it was found that varying the temperature in the range corresponding to crystallization of PCL causes reversible changes in the interlayer distance of the organoclay. Extensive experimental and literature studies on this phenomenon provided clues indicating that this effect might be a result of two‐dimensional ordering of PCL chains inside the galleries of the silicate. Small angle X‐ray scattering and wide angle X‐ray scattering investigation of filaments oriented above melting point of PCL revealed that polymer lamellae were oriented perpendicularly to particles of unmodified silicate, while in PCL/organoclay systems they were found parallel to clay tactoids. Calorimetric and microscopic studies shown that clay particles are effective nucleating agents. In the nanocomposites, PCL crystallized 20‐fold faster than in the neat polymer. The crystallization rate in nanocomposites was also significantly higher than in microcomposite. Further research provided an insight how the presence of the filler affects crystalline fraction and spherulitic structure of the polymer matrix in the investigated systems. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2350–2367, 2007 相似文献
172.
Bart M. J. M. Suijkerbuijk Duncan M. Tooke Anthony L. Spek Gerard van Koten Robertus J. M. Klein Gebbink Prof. Dr. 《无机化学与普通化学杂志》2007,633(15):2649-2653
A tin(IV) porphyrin was combined with two axial NCN‐pincer platinum(II) fragments by utilizing the oxophilicity of the apical positions on the tin atom and the acidic nature of the NCN‐pincer platinum derived benzoic acid. The solid‐state structure determined by X‐ray crystallography revealed some close contacts between the pincer complexes and the meso‐p‐tolyl subsitutents of the porphyrin. It was shown by 1H NMR spectroscopy that these close contacts were not present in solution and that this compound can potentially act as a novel building block for supramolecular architectures. 相似文献
173.
Bahattin Gümgüm Nermin Biricik Feyyaz Durap Ismail Özdemir Nevin Gürbüz Wee Han Ang Paul J. Dyson 《应用有机金属化学》2007,21(8):711-715
Palladium(II) complexes with N,N‐bis(diphenylphosphino)aniline ligands catalyse the Heck reaction between styrene and aryl bromides, affording stilbenes in good yield. The structures of two of the complexes used as pre‐catalysts have been determined by single‐crystal X‐ray diffraction. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
174.
Electronic properties of model quantum-dot structures in zero and finite magnetic fields 总被引:1,自引:0,他引:1
H. Saarikoski E. Räsänen S. Siljamäki A. Harju M.J. Puska R.M. Nieminen 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(2):241-252
We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral
dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional
theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method.
The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions
which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic
field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability
of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained
for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking
solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed.
Received 16 October 2001 and Received in final form 17 January 2002 相似文献
175.
176.
177.
用FDTD方法计算了二维正方晶胞各向异性碲圆柱光子晶体的点缺陷模.为了得到TE,TM模式在完全禁带中具有相同共振频率的缺陷模,对中心点缺陷半径Rd以及中心附近对称位置的点缺陷半径Rn做了一系列微调.计算表明,TM模对于Rn的变化不敏感,而TE模随着Rn的改变出现了明显的规则的移动趋势.通过计算分析,发现对应于f=0.4的背景(R=0.3568a),当Rd=0.55a,Rn=0.26a时在完全禁带中TE和TM的缺陷模具有相同的共振频率ω0=0.2466ωe(其中ωe=2πca,a为晶格常数)
关键词:
时域有限差分法
光子晶体
缺陷模
各向异性 相似文献
178.
M. Gutowski I. Dabkowska J. Rak S. Xu J.M. Nilles D. Radisic K.H. Bowen Jr 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):431-439
The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with
maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a
π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT)
from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of
uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated
glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the
BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the
damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the
standard Watson-Crick pairing scheme.
Received 6 April 2002 Published online 13 September 2002 相似文献
179.
The stationary and the time-dependent homogeneous ordered states in convection may both become unstable against localized perturbations. Defects are then created and they may contribute to the disorganization of the homogeneous state. We present an experimental study of defects in some homogeneous stationary structures as well as in the traveling-wave states of convection of a nematic liquid crystal. We show that the core of the defects is a germ of the unstable state and it can become unstable under the external stress. Then, either fully homogeneous states with the symmetry of the core, or complex disordered states can develop from the local instability of defects in processes quite similar to displacive transitions in solids. Some of the main features are qualitatively similar to numerical simulations of an appropriate Landau-Ginzburg equation. 相似文献
180.
关于PFI-代数与剩余格 总被引:10,自引:0,他引:10
本文提出了一种强FI代数-PFI代数,并且深入研究了它的性质,借此进一步揭示了FI-代数和剩余格之间更加密切的联系,进而以FI-代数为基本框架建立了R0-代数、正则剩余格等逻辑系统的结构特征(包括对隅结构)及其相互关系.这种以FI-代数为基础来统一处理剩余格和R0-代数的方法,同样适合于格蕴涵代数和MV代数等代数结构,而且从中更能清楚地看出它们之间的密切联系,也将有助于对相应形式逻辑系统与模糊推理的研究. 相似文献