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61.
The effect of electronic orbital interactions on p-type doping tendency in ZnO series: First-principles calculations 总被引:1,自引:0,他引:1 下载免费PDF全文
The electronic structures and optical properties of B3 ZnO series of
Znelectronic structures, optical properties, pseudopotential plane-wave method,
\\ \hspace*{1.9cm} p-type doping tendency, electronic structures, optical properties, pseudopotential plane-wave method,
\\ \hspace*{1.9cm} p-type doping tendency Project supported by the National Natural Science
Foundation of China (Grant No~10625416). 2007-04-25 2007-06-18 The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy(X :O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1) are studied by first-principles calculations using a pseudopotential plane-wave method. The results show that Zn d-X p orbital interactions play an important role in the p-type doping tendency in zinc-based Ⅱ-Ⅵ semiconductors. In ZnX, with increasing atomic number of X, Zn d-X p orbital interactions decrease and Zn s-X p orbital interactions increase. Additionally, substituting group-V elements for X will reduce the Zn d-X p orbital interactions while substituting group-VII elements for X will increase the Zn d-X p orbital interactions. The results also show that group-V-doped ZnX and group-Ⅷ-doped ZnX exhibit different optical behaviours due to their different orbital interaction effects. 相似文献
62.
采用第一性原理计算方法研究了二维β相GeSe的电子结构,通过对二维单层β-GeSe剪切得到一维β-GeSe扶手椅型纳米带.研究不同带宽(N=1-5)β-GeSe扶手椅型纳米带的几何结构和电子性质,发现不同带宽纳米带能带带隙不同,带隙总体上随着带宽减小,而纳米带直接带隙半导体性质不受带宽影响.通过使用H、F原子对GeSe扶手椅型纳米带边缘修饰,H原子修饰纳米带导致能带类型从直接带隙向间接带隙的转变.在费米能级附近处F原子各轨道对价带和导带贡献比H原子各轨道贡献多,在边缘修饰中纳米带对F原子更加敏感.未修饰和使用H原子修饰纳米带在可见光范围内没有吸收峰,用F原子修饰纳米带在可见光范围内出现吸收峰.研究表明可以通过边缘修饰调控纳米带光学特性. 相似文献
63.
We consider a panel data semiparametric partially linear regression model with an unknown parameter vector for the linear parametric component, an unknown nonparametric function for the nonlinear component, and a one-way error component structure which allows unequal error variances (referred to as heteroscedasticity). We develop procedures to detect heteroscedasticity and one-way error component structure, and propose a weighted semiparametric least squares estimator (WSLSE) of the parametric component in the presence of heteroscedasticity and/or one-way error component structure. This WSLSE is asymptotically more efficient than the usual semiparametric least squares estimator considered in the literature. The asymptotic properties of the WSLSE are derived. The nonparametric component of the model is estimated by the local polynomial method. Some simulations are conducted to demonstrate the finite sample performances of the proposed testing and estimation procedures. An example of application on a set of panel data of medical expenditures in Australia is also illustrated. 相似文献
64.
65.
应用小波变换和非线性动力学方法研究了混沌信号在相空间中的行为,指出混沌时间序 列的小波变换实质上是在重构的相空间中,混沌吸引子向小波滤波器向量所张的空间中的投 影,与Packard等人提出的相空间重构方法本质上是一致的.实验结果表明,混沌信号经过 小波变换后,吸引子轨迹与原有轨迹具有相似的结构,同时,系统的关联维数、Kolmogorov 熵等非线性不变量仍然得到保留.这些结果表明,利用小波变换研究混沌信号是有效的.
关键词:
小波变换
相空间重构
混沌信号
脑电信号 相似文献
66.
研究了蓝宝石(1102)基片在不同温度和时间下退火时表面形貌和表面相结构的变化,以及它对CeO2缓冲层和T1-2212超导薄膜生长的影响.原子力显微镜(AFM)研究表明,在流动氧环境中1000℃温度下退火,蓝宝石(1102)的表面首先局部区域形成台阶结构,然后表面形成叠层台阶结构,随着退火时间的延长.表面发生了台阶合并现象,表面形貌最终演化为稳定的具有光滑平台的宽台阶结构.XRD测试表明,通过高温热处理可以大幅度提高蓝宝石基片表面结构的完整性.在1000℃温度下热处理20 h的蓝宝石(1102)基片上可以生长出具有面内取向的CeO2(001)缓冲层.在具有缓冲层的蓝宝石基片上可以制作出高质量c轴织构的外延11-2212超导薄膜,其临界转变温度(Tc)为104.7 K,液氮温度下临界电流密度(Jc)达到3.5 MA/cm2,微波表面电阻R(77 K,10 GHz)约为390μΩ. 相似文献
67.
Based on the characteristics of a nitro-group, which can be partially or totally reduced to an amino-group in hypoxic cells,
two series of hypoxic sensors containing 7H-Benzimidazole [2,1-a]benz[de]isoquinolin-7-one cores with nitro groups in different
positions were designed, synthesized and evaluated. The target compounds exhibited significantly different fluorescence characteristics
(fluorescence enhancement or quenching). The strong fluorescences of some partially reduced compounds could be explained through
the examination of their infrared spectra, which showed a restriction of the nitro-group vibration. These compounds exhibited
significant hypoxic–oxic fluorescence differences not only in numerical values but also in their fluorescent imaging properties
as reported for the first time.
相似文献
68.
Xinzheng Zhang Jingmin Zhang Li Chen Jun Xu Liping You Dapeng Yu 《Applied Physics A: Materials Science & Processing》2008,92(3):669-672
In order to well understand the growth mechanism of the diverse morphology of the ZnO nanostructures, in situ analysis of
the formation of different ZnO nanostructures, such as nanowires, nanocombs, and nanosheets, has been conducted in an environmental
scanning electron microscope (ESEM). It is found that both nanocombs and nanosheets grew in two-stage heating processes on
parent nanowires. The difference is that the nanocombs were synthesized in extremely high pressure of zinc vapor via a self-catalyzed
vapor-liquid-solid process, while the ZnO nanosheets were grown in relatively low pressure of zinc vapor. All the growth processes
were revealed in real time imaging. It is demonstrated that the change in the growth environments can influence the thickness
of the ZnO polycrystalline surface of the zinc powder, which alters the pressure of the zinc vapor and in turn determines
the morphology of the final nanostructures. 相似文献
69.
The ART model is applied to study the deformed UU collision at HIRFL-CSR energy area corresponding to the high baryon density region in the QCD phase diagram. The time evolution of central baryon (energy) densities in central collisions at Eb =0.52GeV/u shows that different orientation collisions will lead to different lifetimes of high density, especially tip--tip UU collisions which have an extend lifetime for the high density phase by almost a factor of 2 compared to the body--body orientation collisions. In order to pick out the interesting tip--tip like events from a mass of random orientation collisions, we study the relation between stopping power R and impact parameter b in different orientation collisions and find that it can enhance the purity of tip--tip like events when R increases. Therefore, the high density and long lifetime events can be effectively distinguished by R selection. 相似文献
70.
You-Cun Chen Guang-Xiang Liu Xiao-Ming Ren You Song 《Journal of Physics and Chemistry of Solids》2008,69(10):2445-2452
Four molecular solids consisting of the 7,7,8,8-tetracyanoquinodimethane (TCNQ) radical and benzylpyridinium or benzylquinolinium derivatives with molar ratios of 1:1 (1-3) and 2:1 (4) have been prepared and characterized. In the crystals of 1 and 3, TCNQ− monoanions and the corresponding cations form segregated stacks, which are regular in 1 but irregular in 3. Instead of segregated stacks, TCNQ− monoanions in 2 form isolated π-dimers. In the crystals of 4, two crystallographic independent TCNQ species possess almost equal fractional negative charge (ca. −0.5). Two types of TCNQ species form a tetrad, these tetrads make a TCNQ stack with the pattern …BAAB…BAAB… along the crystallographic a-b direction. The magnetisms for 1-4 can be simply explained by the formation of singlet spin state. A broken symmetry approach in a density functional theory framework at the ub3lyp/6-31 g level was used to calculate the magnetic exchange constants in 1-4. The results qualitatively demonstrate the observed magnetic properties. 相似文献