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31.
We have used the periodic quantum-mechanical method with density functional theory at the B3LYP level in order to study TiO2/Sn doped (1 1 0) surfaces and have investigated the structural, electronic and energy band properties of these oxides. Our calculated relaxation directions for TiO2 is the experimental one and is also in agreement with other theoretical results. We also observe for the doped systems relaxation of lattice positions of the atoms. Modification of Sn, O and Ti charges depend on the planes and positions of the substituted atoms. Doping can modify the Fermi levels, energy gaps as well as the localization and composition of both valence and conduction band main components. Doping can also modify the chemical, electronic and optical properties of these oxides surfaces increasing their suitability for use as gas sensors and optoelectronic devices. 相似文献
32.
XPS measurement revealed that the original state of TiO2 was changed to Ti2O3 and TiO by ion bombardment. TiO2 decreased and Ti2O3 increased at the initial stage. TiO increased at a later stage than Ti2O3. Each of them saturated after enough sputtering time.A formulation was proposed in order to explain the change of XPS spectra for oxides as a function of ion sputtering time. This formulation was based on reaction equations that contain two reduction processes (from TiO2 to Ti2O3 and from Ti2O3 to TiO), and sputtering effects. Using four fitting parameters (two reduction coefficients, sputtering yield and information depth), the present formula was fitted to the experimental results. The fitting results agree satisfactorily with the experimental results. The calculation shows that the reduction coefficient from TiO2 to Ti2O3 is about ten times larger than that from Ti2O3 to TiO. This calculation predicts that surface composition of an oxide that is changed by ion bombardment will reach a different value depending on its bulk composition. Moreover, the present formulation can determine the chemical states of compounds changed by ion bombardment. 相似文献
33.
Erzs bet Ill s Etelka Tomb cz 《Colloids and surfaces. A, Physicochemical and engineering aspects》2003,230(1-3):99-109
The ionic strength dependence of humic acid (HA) adsorption on magnetite (Fe3O4) was investigated at pH 5, 8 and 9, where variable charged magnetite is positive, neutral and negative, respectively. The adsorption studies revealed that HA has high affinity to magnetite surface especially at lower pH, where interacting partners have opposite charges. However, in spite of electrostatic repulsion at pH 9 notable amounts of humate are adsorbed. Increasing ionic strength enhances HA adsorption at each pH due to charge screening. The dominant interaction is probably a ligand-exchange reaction, nevertheless the Coulombic contribution to the organic matter accumulation on oxide surface is also significant under acidic condition. The results from size exclusion chromatography demonstrate that the smaller size HA fractions enriched with functional groups are adsorbed preferentially on the surface of magnetite at pH 8 in dilute NaCl solution. 相似文献
34.
S. Mentus Dijana Jelić Veselinka Grudić 《Journal of Thermal Analysis and Calorimetry》2007,90(2):393-397
Thermal decomposition of lanthanum nitrate to lanthanum oxide was carried out by both temperature programmed heating (TPH)
and citrate-gel combustion. The temperature programmed heating was carried out under flow of oxidizing (air), neutral (nitrogen)
and reducing (25 vol.% hydrogen+argone mixture) gases, and the processes were controlled by simultaneous thermogravimetry
and differential thermal analysis. It was shown that hydrogen atmosphere helps to reduce temperatures of all decomposition
steps. The results of TPH were utilized to check the nature of residues in the products of lanthanum nitrate-to-oxide conversion
performed via citrate-gel combustion technique. 相似文献
35.
The electronic states of the Cr overlayers on TiO2(0 0 1) surfaces have been investigated using angle-resolved and resonant photoemission spectroscopy with synchrotron radiation. At lower coverages, Cr deposition on TiO2(0 0 1) creates two well separated in-gap emissions due to the formation of surface Ti3+ (3d1) ions and Cr3+ (3d3) ions. At higher coverages, the in-gap emission is developed into the 2-peak-structure emission of Cr 3d character. The corresponding state is considered to be of metallic nature from the viewpoint of the high ability of oxygen adsorption, but has no Fermi edge, indicating a possibility of forming small Cr clusters on TiO2(0 0 1) at this stage. 相似文献
36.
37.
用电子顺磁共振方法研究了一些高温超导氧化物样品的零场非共振吸收信号和正常的ESR共振信号。认为这种方法可以作为鉴别样品进入超导态的实验判据之一。利用零场非共振吸收实验给出的下临界磁场Hc1(T)很好地遵多Hc1(T)=Hc1(0)(1-T&^2/Tc^2)。 相似文献
38.
39.
四溴双酚A锑铝双金属化合物的合成及其阻燃性能 总被引:1,自引:0,他引:1
以四溴双酚A(TBA)合成了在水和空气中稳定的四溴双酚A合锑铝双金属化合物(TBASA).通过IR、1HNMR和元素分析予以表征,并研究了其对聚乙烯(PE)和聚环氧乙烷(PEO)的阻燃性能.结果表明,这种分子中含有溴、锑和铝的化合物,对聚乙烯和聚环氧乙烷等高聚物材料有高的阻燃性能与消烟效果. 相似文献
40.
The dendrite growth process of transparent NaBi(WO4)2 with small prandtl and high melting point was studied by using the in-situ observation system. According to the dynamic images and detailed information, there are two kinds of restriction effect on
the dendrite growth, the competition between arms and branches and the convection in the melt. The dendrite growth rate was
time dependent, and the rate of arm growth reached the maximum 5.8 mm/s in the diffusive-advective region and rapidly decreased
in the diffusive-convective region. The growth rate of branch had the same change trends as the arm’s. Based on the EPMA-EDS
data of solidification structure of quenched NaBi(WO4)2 melt, it was found that there were component differences from stoichiometric concentration in the melt near the interface
during the growth process.
Supported by the National Natural Science Foundation of China (Grant No. 50331040) and the Innovation Funds from Shanghai
Institute of Ceramics, Chinese Academy of Sciences (Grant No. SCX0623) 相似文献