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We have numerically simulated the induced electric fields and the plasmonic interactions of a metallic nanotube near a thin metallic film. Our study shows that the energies and intensities of the plasmon resonances depend strongly on the aspect ratio (the ratio of the inner to outer radius) of the nanotube as well as the separation between the center of the nanotube and the upper surface of the metallic film and the thickness of the film. The enhancement of the induced electric field of this system reaches ...  相似文献   
3.
The dynamics of an ensemble of two-level atoms injected into a single-mode cavity is studied in the exact atom-field interaction situation, in which the counter-rotating terms describing the so-called virtual photon processes neglected in the rotating-wave approximation, are considered. The cavity mode is driven by the injected classical field,and the atom is prepared in a coherent superposition of the two levels. We first derive the generalized Lorenz-Haken equation by using the technique of quantum Langevin equation, and then numerically study the dynamics of this equation.We find that the virtual photon processes have strong effects on the dynamics, which can cause the trajectory in phase space of strange attractor spiral around four focus points, and the trajectory is modulated by virtual photon processes.The chaos region in parameter space is now enlarged. It should be stressed that the strange attractor can exist in optical bistability, and whether the atomic coherences and classical field can inhibit chaos depends on the laser frequency.  相似文献   
4.
基于CST的偶极子天线虚拟实验   总被引:2,自引:0,他引:2  
基于电磁仿真软件CST,设计了偶极子天线虚拟实验,建立了天线仿真模型,给出了仿真结果,不仅解决了实际天线实验设施造价高昂,操作复杂的问题,还可以直观给出天线电流分布、空间电场和磁场分布、辐射方向性图等,为高校电磁场类的物理实验提供一个新的解决方案。  相似文献   
5.
Abstract

Aloe vera leaf contains some bioactive compounds that have a strong binding affinity toward estrogen receptor as compared to standard drug tamoxifen. In this study, we have found that the IC50 of Aloe vera leaf extract against breast cancer cell line (MCF-7) is 23?µg/mL which is much lower than the IC50 (332?µg/mL) of Aloe vera leaf extract against non-cancerous cell line (NIH-3T3). We have also calculated the total concentration of phenolic acid (385.662?µg/mL), flavonoids (160.402?µg/mL) and alkaloids (276.754?µg/mL) in Aloe vera leaf extract. The free radical scavenging activity of Aloe vera leaf extract is 67% to 89% (at 50 to 300?µg/ml). Our virtual molecular docking study suggests that bioactive compounds like Aloe-emodin (?8.8?Kcal/mol), 7-hydroxy-2,5 dimethylchromone (?7.5?Kcal/mol), Beta-sitosterol (?7.3?Kcal/mol) etc. have a greater binding affinity toward estrogen alpha receptor as compared to standard drug Tamoxifen (?6.4?Kcal/mol).

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6.
    
Mushrooms can be considered a valuable source of natural bioactive compounds with potential polypharmacological effects due to their proven antimicrobial, antiviral, antitumor, and antioxidant activities. In order to identify new potential anticancer compounds, an in-house chemical database of molecules extracted from both edible and non-edible fungal species was employed in a virtual screening against the isoform 7 of the Histone deacetylase (HDAC). This target is known to be implicated in different cancer processes, and in particular in both breast and ovarian tumors. In this work, we proposed the ibotenic acid as lead compound for the development of novel HDAC7 inhibitors, due to its antiproliferative activity in human breast cancer cells (MCF-7). These promising results represent the starting point for the discovery and the optimization of new HDAC7 inhibitors and highlight the interesting opportunity to apply the “drug repositioning” paradigm also to natural compounds deriving from mushrooms.  相似文献   
7.
    
The virtual-reality framework AVATAR (Advanced Virtual Approach to Topological Analysis of Reactivity) for the immersive exploration of potential-energy landscapes is presented. AVATAR is based on modern consumer-grade virtual-reality technology and builds on two key concepts: (a) the reduction of the dimensionality of the potential-energy surface to two process-tailored, physically meaningful generalized coordinates, and (b) the analogy between the evolution of a chemical process and a pathway through valleys (potential wells) and mountain passes (saddle points) of the associated potential energy landscape. Examples including the discovery of competitive reaction paths in simple A + BC collisional systems and the interconversion between conformers in ring-puckering motions of flexible rings highlight the innovation potential that augmented and virtual reality convey for teaching, training, and supporting research in chemistry.  相似文献   
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For augmented reality and virtual reality displays, high-resolution density, high luminance, and fast response time are critically needed. High-resolution density helps eliminate the screen-door effect; high luminance and fast response time enable low duty ratio operation, which plays a key role for suppressing image blurs. By using a low viscosity material and new diamond-shaped electrode configuration, we demonstrate a fringe field switching liquid crystal display, abbreviated as d-FFS LCD, with high transmittance, fast grey-to-grey response time, low operation voltage, wide viewing angle, and indistinguishable colour shift and gamma shift. We also investigate the rubbing angle (α) effects on transmittance and response time. When α = 0°, the virtual wall effect is strong, resulting in fast response time but compromised transmittance. When α ≥ 1.2°, the virtual walls disappear, as a result, the transmittance increases dramatically, but the trade-off is in slower response time.  相似文献   
10.
Current systems for similarity-based virtual screening use similarity measures in which all the fragments in a fingerprint contribute equally to the calculation of structural similarity. This paper discusses the weighting of fragments on the basis of their frequencies of occurrence in molecules. Extensive experiments with sets of active molecules from the MDL Drug Data Report and the World of Molecular Bioactivity databases, using fingerprints encoding Tripos holograms, Pipeline Pilot ECFC_4 circular substructures and Sunset Molecular keys, demonstrate clearly that frequency-based screening is generally more effective than conventional, unweighted screening. The results suggest that standardising the raw occurrence frequencies by taking the square root of the frequencies will maximise the effectiveness of virtual screening. An upper-bound analysis shows the complex interactions that can take place between representations, weighting schemes and similarity coefficients when similarity measures are computed, and provides a rationalisation of the relative performance of the various weighting schemes.  相似文献   
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