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91.
Brent D. Viers 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(2):131-138
End‐linking poly(dimethylsiloxane) was used to prepare bimodal elastomers networks so as to have inhomogeneous nanostructures, and also to prepare others having very broadly multimodal chain‐length distributions. Macroscopic phase separation, probably high crosslink density clusters, was observed to occur in some of the bimodal networks. The mechanical properties in simple extension and in equilibrium swelling were measured. The bimodal elastomers that were not obviously inhomogeneous showed very good mechanical properties, but the macroscopically phase‐separated networks, and the broadly multimodal network were weak. Analysis of the Mooney‐Rivlin profiles suggests that the reinforcing mechanism could have a structural component in addition to that from the limited extensibilities of the short chains. The mechanical properties and the extents of swelling support the cluster conjecture, in accord with previous morphological studies on spatially‐inhomogeneous polysiloxane elastomers. 相似文献
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Evolution of coercivity and its angular dependence in CoFe nanostructures subjected to field cooling
G. K. Rajan S. Ramaswamy G. Chandrasekharan D. J. Thiruvadigal 《Surface and interface analysis : SIA》2014,46(2):98-101
Evolution of coercivity and its angular dependence in CoFe nanostructures subjected to field cooling has been investigated in this work. Spherical CoFe grains with an average diameter of 30 nm were grown on a silicon substrate using electron beam evaporation. Further, the as‐deposited sample was subjected to field cooling. The morphology and topography of the sample before and after field cooling were characterized by atomic force microscopy and SEM. Magnetic force microscopy indicated that there is a good uniformity of magnetization throughout the sample after field cooling. Vibrating sample magnetometer measurements indicate that the coercivity in CoFe nanostructures is dependent on shape of the nanostructures. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
95.
Valence state parameters of all transition metal atoms in metalloproteins—development of ABEEMσπ fluctuating charge force field
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Zhong‐Zhi Yang Jian‐Jiang Wang Dong‐Xia Zhao 《Journal of computational chemistry》2014,35(23):1690-1706
To promote accuracy of the atom‐bond electronegativity equalization method (ABEEMσπ) fluctuating charge polarizable force fields, and extend it to include all transition metal atoms, a new parameter, the reference charge is set up in the expression of the total energy potential function. We select over 700 model molecules most of which model metalloprotein molecules that come from Protein Data Bank. We set reference charges for different apparent valence states of transition metals and calibrate the parameters of reference charges, valence state electronegativities, and valence state hardnesses for ABEEMσπ through linear regression and least square method. These parameters can be used to calculate charge distributions of metalloproteins containing transition metal atoms (Sc‐Zn, Y‐Cd, and Lu‐Hg). Compared the results of ABEEMσπ charge distributions with those obtained by ab initio method, the quite good linear correlations of the two kinds of charge distributions are shown. The reason why the STO‐3G basis set in Mulliken population analysis for the parameter calibration is specially explained in detail. Furthermore, ABEEMσπ method can also quickly and quite accurately calculate dipole moments of molecules. Molecular dynamics optimizations of five metalloproteins as the examples show that their structures obtained by ABEEMσπ fluctuating charge polarizable force field are very close to the structures optimized by the ab initio MP2/6–311G method. This means that the ABEEMσπ/MM can now be applied to molecular dynamics simulations of systems that contain metalloproteins with good accuracy. © 2014 Wiley Periodicals, Inc. 相似文献
96.
Methods of automatic computer analyses of images have large impotence in numerous physical problems with different kinds of radiations, which use such solid-state detectors as nuclear photographic emulsions, plastics and others. We described a method of expanding boundaries of dark areas for such computer analyses of micro-pictures. We demonstrated effectiveness of this method by the example of the search of microcrystals size distributions in two undeveloped nuclear emulsions and similar distribution of background grains in the developed emulsion. 相似文献
97.
Giacomo Fiorin Fabrizio Marinelli José D. Faraldo-Gómez 《Journal of computational chemistry》2020,41(5):449-459
We report a methodology to calculate the free energy of a shape transformation in a lipid membrane directly from a molecular dynamics simulation. The bilayer need not be homogeneous or symmetric and can be atomically detailed or coarse grained. The method is based on a collective variable that quantifies the similarity between the membrane and a set of predefined density distributions. Enhanced sampling of this “Multi-Map” variable re-shapes the bilayer and permits the derivation of the corresponding potential of mean force. Calculated energies thus reflect the dynamic interplay of atoms and molecules, rather than postulated effects. Evaluation of deformations of different shape, amplitude, and range demonstrates that the macroscopic bending modulus assumed by the Helfrich–Canham model is increasingly unsuitable below the 100-Å scale. In this range of major biological significance, direct free-energy calculations reveal a much greater plasticity. We also quantify the stiffening effect of cholesterol on bilayers of different composition and compare with experiments. Lastly, we illustrate how this approach facilitates analysis of other solvent reorganization processes, such as hydrophobic hydration. Published 2019. This article is a U.S. Government work and is in the public domain in the USA. 相似文献
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99.
《Physics letters. A》2020,384(16):126322
Quantum key distribution (QKD) is a promising application to establish unconditional secure communications by quantum mechanics. However, its widespread application still faces a great challenge, that is, the fundamental linear key-rate constraint called Pirandola-Laurenza-Ottaviani-Banchi (PLOB) bound. Recently, twin-field QKD (TF-QKD) was proposed (Lucamarini et al., 2018 [4]), it overcomes the constraint mentioned above. However, the original TF-QKD is based on the phase-encoding strategy, which requires active alignment. In this paper, we improve the original TF-QKD with the photon orbital angular momentum (OAM), and propose a novel reference frame independent protocol to overcome the reference frame dependence. No more alignment procedure is needed, and the intrinsic misalignment errors are eliminated by utilizing the rotation-invariance of OAM photons. Besides, the security performance is also improved. 相似文献
100.
飞行器角速度的测量在航空航天领域是极为重要的问题,然而现在主流的利用陀螺仪测量角速度的方法有造价较高这一问题。本文提出了一种通过测量刚体上非共线三点的加速度得到刚体角速度的方法,可以利用极为廉价的高精度加速度计较为准确地测量高速稳态飞行器的角速度。本文应用刚体运动学中的基点法,得到由刚体上非共线三点的加速度和其距离表示的刚体角速度,并对其进行了误差分析。最终采用数值模拟的方法,分析了此方法在具有较高角速度的飞行器和具有较低角速度的稳态卫星上得到的角速度的适用性。模拟结果表明,此种方法适用于稳态高角速度的飞行器。 相似文献