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981.
982.
Ronhovde P Chakrabarty S Hu D Sahu M Sahu KK Kelton KF Mauro NA Nussinov Z 《The European physical journal. E, Soft matter》2011,34(9):105
We elaborate on a general method that we recently introduced for characterizing the “natural” structures in complex physical
systems via multi-scale network analysis. The method is based on “community detection” wherein interacting particles are partitioned into an “ideal
gas” of optimally decoupled groups of particles. Specifically, we construct a set of network representations (“replicas”)
of the physical system based on interatomic potentials and apply a multiscale clustering (“multiresolution community detection”)
analysis using information-based correlations among the replicas. Replicas may i) be different representations of an identical
static system, ii) embody dynamics by considering replicas to be time separated snapshots of the system (with a tunable time
separation), or iii) encode general correlations when different replicas correspond to different representations of the entire
history of the system as it evolves in space-time. Inputs for our method are the inter-particle potentials or experimentally
measured two (or higher order) particle correlations. We apply our method to computer simulations of a binary Kob-Andersen
Lennard-Jones system in a mixture ratio of A80B20 , a ternary model system with components “A”, “B”, and “C” in ratios of A88B7C5 (as in Al88Y7Fe5 , and to atomic coordinates in a Zr80Pt20 system as gleaned by reverse Monte Carlo analysis of experimentally determined structure factors. We identify the dominant
structures (disjoint or overlapping) and general length scales by analyzing extrema of the information theory measures. We
speculate on possible links between i) physical transitions or crossovers and ii) changes in structures found by this method
as well as phase transitions associated with the computational complexity of the community detection problem. We also briefly
consider continuum approaches and discuss rigidity and the shear penetration depth in amorphous systems; this latter length
scale increases as the system becomes progressively rigid. 相似文献
983.
Zhongzhi Tang Matthew B. Abrams John C. Mauro Leon R. Zoeller Natesan Venkataraman Guangli Hu 《Applied Physics A: Materials Science & Processing》2014,116(2):471-477
Thermally or chemically strengthened glass is more resistant to damage and breakage compared to non-strengthened glass. Both strengthening mechanisms are based on incorporation of a compressive stress profile in the surface of the glass, which must be balanced by an equivalent amount of integrated tensile stress in the interior of the glass. This tensile stress is believed to affect the kinetics of Stage III crack propagation upon fracture of the sample. In this study, we use a high-speed camera to perform direct measurement of the kinetics of Stage III fracture in a strengthened glass sample. Data including crack propagation speed, crack bifurcation distance, and bifurcation angles are collected at a rate of 500,000 frames per second and then characterized. The authors believe that these data will provide a foundation for understanding the physics of Stage III fracture in strengthened glass samples. 相似文献
984.
P doped ZnO films were grown on quartz by radio frequency-magnetron sputtering method using a ZnO target mixed with 1.5 at% P2O5 in the atmosphere of Ar and O2 mixing gas. The as-grown P doped ZnO film showed n-type conductivity, which was converted to p-type after 800 °C annealing in Ar gas. The P doped ZnO has a resistivity of 20.5 Ω cm (p∼2.0×1017 cm−3) and a Hall mobility of 2.1 cm2 V−1 s−1. XRD measurement indicated that both the as-grown and the annealed P doped ZnO films had a preferred (0 0 2) orientation. XPS study agreed with the model that the PZn-2VZn acceptor complex was responsible for the p-type conductivity as found in the annealed P-doped ZnO. Temperature-dependent photoluminescence (PL) spectrum showed that the dominant band is located at 3.312 eV, which was attributed to the free electronic radiative transition to neutral acceptor level (FA) in ZnO. The PZn-2VZn acceptor complex level was estimated to be at EV=122 meV. 相似文献
985.
Hu Jianjun Duan Yuping Zhang JiaJing Hui Liu ShunhuaLi Weiping 《Physica B: Condensed Matter》2011,406(10):1950-1955
MnO2/doped polyaniline (PANI) is prepared by an in situ polymerization method using γ-MnO2 as the addition agent and hydrochloric acid as the doping agent. Products are characterized by FT-IR, UV-vis, XRD, and TEM. Conductivity, electromagnetic properties, and microwave absorption properties are first discussed on the basis of structural characterization. The as-prepared products of MnO2/PANI are partially crystalline in nature and spherical in pattern with grain sizes of 50-70 nm. MnO2 particles are successfully decorated with doped PANI. MnO2/PANI displays moderate electric conduction, excellent dielectric losses, and microwave absorption capabilities. Compared to pure MnO2, the dielectric and reflection loss properties of MnO2/PANI composites exhibit significant improvements, with an effective absorption band at 5 GHz under −10 dB and maximum reflection loss of −21 dB at 13.56 GHz. Pure MnO2 shows an effective absorption band of 3 GHz under −10 dB and a maximum reflection loss of −14.20 dB at 11.5 GHz. Thus, MnO2/PANI composites are found to be a promising microwave absorption material. 相似文献
986.
Two new La(III) and Sm(III) complexes with enrofloxacin (HER, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, C(19)H(21)FN(3)O(3)), [La(2)(ER)(6)(H(2)O)(2)]·14H(2)O(1) and [Sm(2)(ER)(6)(H(2)O)(2)]·14H(2)O(2) have been synthesized and characterized by elemental analysis, FT-IR, TG-DTG and X-ray single crystal diffraction. Both of the complexes are triclinic system with space group Pī. The structure of the complexes show that each rare earth atom in both complexes was nine-coordinated. Two of the enrofloxacin ions acted as tridentate chelate and bridging ligands, while the others as bidentate chelate ligands. The binding reaction between the complexes and bovine serum albumin (BSA) was studied by UV-vis absorption spectra and fluorescence spectroscopy. The results indicated that the two complexes had a quite strong ability to quench the fluorescence from BSA and the binding reaction was mainly a static quenching process. The binding constants K ( A )/(L·mol(-1)) were 1.46 × 10(5)(1) and 8.59 × 10(6)(2) and one binding site was formed. The synchronous spectroscopy suggested that tryptophan residues were placed in BSA. It was also found that the two complexes exhibited greater antimicrobial activity than enrofloxacin at given concentrations. 相似文献
987.
Xiao-Ping WeiXian-Ru Hu Bin LiuYi Lei Hong DengMing-Kun Yang Jian-Bo Deng 《Journal of magnetism and magnetic materials》2011,323(12):1606-1610
The first-principle calculations within density functional theory are used to investigate the electronic structure and magnetism of the Mn2ZnGe Heusler alloy with CuHg2Ti-type structure. The half-metallic ferrimagnets (HMFs) in Mn2ZnGe are predicted. The energy gap lies in the minority-spin band for the Mn2ZnGe alloy. The calculated total spin magnetic moment is −2μB per unit cell for Mn2ZnGe alloy, the magnetic moments of Zn and Mn(B) are antiparallel to that of Mn(A), and we also found that the half-metallic properties of Mn2ZnGe are insensitive to the dependence of lattice within the wide range of 5.69 and 5.80 Å where exhibiting perfect 100% spin polarization at the Fermi energy. 相似文献
988.
Synchronization of complex community networks with nonidentical nodes and adaptive coupling strength
In this Letter, the complex dynamical networks with community structure and nonidentical nodes are considered. The globally asymptotical synchronization of the time-delayed complex community networks onto any uniformly smooth state is studied. Some simple and useful criteria are derived by constructing an effective control scheme and adjusting automatically the adaptive coupling strength. Finally, the developed techniques are applied to two complex community networks which are respectively synchronized to a chaotic trajectory and a periodic orbit, and numerical simulations are provided to show the feasibility of the developed methods. 相似文献
989.
折射是影响辐射传输的重要因素. 为分析大气折射对辐射传输的影响, 基于Monte Carlo方法, 给出了考虑大气折射的矢量辐射传输模型, 实现了均匀气层和耦合面处光子随机运动过程的模拟, 实现了直射光及漫射光Stokes矢量、偏振度和辐射通量等参数的计算. 在考虑和不考虑大气折射两种条件下, 验证了模型的准确性; 在纯瑞利散射条件下, 讨论了大气折射对不同方向漫射光Stokes矢量的影响; 在不同太阳天顶角、大气廓线、气溶胶及含云大气条件下, 分析了大气折射对辐射传输过程的影响. 结果表明: 大气折射对漫射光Stokes矢量的影响主要体现在天顶角70°–110°区间, 且随着太阳入射角增大, 其影响更为显著; 不同大气廓线情形下, 大气折射对Stokes矢量的影响不一致, 其原因是不同大气廓线对应的折射率廓线存在差异. 含云及含气溶胶大气条件下, 大气折射对辐射传输的影响变弱, 沙尘型及海盐型气溶胶条件下, 折射对辐射传输的影响强于可溶型气溶胶情形; 不同形状气溶胶条件下, 大气折射对辐射传输的影响也存在显著差异; 不同云高条件下, 大气折射对漫射光Stokes矢量的影响无显著差异, 但随着云光学厚度增大, 大气折射的影响减弱. 相似文献
990.
The growth of SrMnO3 films on SrTiO3(111) substrates by pulsed laser deposition was studied and found to produce cubic and hexagonal (4H) structures in the SrMnO3 films. By adjusting the substrate temperature and oxygen pressure, the stability of the two phases was fine-tuned, resulting in the growth of cubic-SrMnO3(111) or 4H-SrMnO3(0001) film, with the 4H phase being the more stable at room temperature and ambient pressure in the bulk form. The growth temperature of the cubic phase was also further lowered relative to the bulk thermodynamics by strain at the heterointerface, and once obtained, it was stable at temperatures of up to 800 °C. 相似文献