全文获取类型
收费全文 | 14656篇 |
免费 | 280篇 |
国内免费 | 1398篇 |
专业分类
化学 | 11907篇 |
晶体学 | 649篇 |
力学 | 351篇 |
综合类 | 18篇 |
数学 | 669篇 |
物理学 | 2740篇 |
出版年
2024年 | 9篇 |
2023年 | 255篇 |
2022年 | 113篇 |
2021年 | 88篇 |
2020年 | 193篇 |
2019年 | 162篇 |
2018年 | 166篇 |
2017年 | 203篇 |
2016年 | 282篇 |
2015年 | 238篇 |
2014年 | 377篇 |
2013年 | 745篇 |
2012年 | 1844篇 |
2011年 | 814篇 |
2010年 | 675篇 |
2009年 | 881篇 |
2008年 | 1047篇 |
2007年 | 1220篇 |
2006年 | 860篇 |
2005年 | 765篇 |
2004年 | 753篇 |
2003年 | 549篇 |
2002年 | 585篇 |
2001年 | 514篇 |
2000年 | 484篇 |
1999年 | 413篇 |
1998年 | 361篇 |
1997年 | 219篇 |
1996年 | 229篇 |
1995年 | 205篇 |
1994年 | 194篇 |
1993年 | 160篇 |
1992年 | 135篇 |
1991年 | 127篇 |
1990年 | 78篇 |
1989年 | 73篇 |
1988年 | 63篇 |
1987年 | 55篇 |
1986年 | 24篇 |
1985年 | 30篇 |
1984年 | 14篇 |
1983年 | 16篇 |
1982年 | 22篇 |
1981年 | 23篇 |
1980年 | 21篇 |
1979年 | 18篇 |
1978年 | 5篇 |
1973年 | 4篇 |
1969年 | 4篇 |
1966年 | 3篇 |
排序方式: 共有10000条查询结果,搜索用时 203 毫秒
1.
Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote. 相似文献
2.
In a 2:2 reaction with silver(I) chloride or bromide, 1,5-bis(1-phospholano)pentane ( 1a ) afforded frame-like macrocyclic structures, with intra- ( 2 , Cl) or intermolecular ( 3 , Br) halido bridges. In contrast, 1,7-bis(1-phospholano)heptane ( 1b ) formed coordination polymers 4a (Cl) and 4b (Br) with bridging bis-phospholane and halido ligands. A unique paddle wheel-type metallacryptand structure 5 was obtained from 1a and silver(I) bromide in a 2:3 reaction (M:L). All complexes were fully characterized by NMR, IR spectroscopy, mass spectrometry, and X-ray crystallography. 相似文献
3.
《Wave Motion》2018
The evolution of surface gravity waves is driven by nonlinear interactions that trigger an energy cascade similarly to the one observed in hydrodynamic turbulence. This process, known as wave turbulence, has been found to display anomalous scaling with deviation from classical turbulent predictions due to the emergence of coherent and intermittent structures on the water surface. In the ocean, waves are spread over a wide range of directions, with a consequent attenuation of the nonlinear properties. A laboratory experiment in a large wave facility is presented to discuss the sensitivity of wave turbulence on the directional properties of model wave spectra. Results show that the occurrence of coherent and intermittent structures become less likely with the broadening of the wave directional spreading. There is no evidence, however, that intermittency completely vanishes. 相似文献
4.
Mohammad Azam Saud I. Al-Resayes Agata Trzesowska-Kruszynska Rafal Kruszynski S.F. Adil N.K. Lokanath 《Journal of Saudi Chemical Society》2019,23(5):636-641
A new derivative of dioxouranium(VI) salen complex, [UO2(L)(pyridine)], where [L = N,N′-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine] is synthesized and characterized by elemental analysis (C, H, N), FT-IR, ESI-MS spectrometry, UV/Vis, fluorescence, 1H and 13C NMR spectroscopy and thermal gravimetric (TG) study. Furthermore, the single crystal X-ray diffraction measurements of the complex were carried out at 100 and 273 K. The crystal structure measurements revealed that the complex has distorted pentagonal bipyramidal geometry with uranium atom located at the centre and bonded to two phenoxy oxygen and two azomethine nitrogen in tetradenate fashion and one nitrogen from pyridine making it seven coordinated. In addition, the photoluminescence property of the complex was also recorded. 相似文献
5.
《中国化学快报》2020,31(12):3183-3189
Engineered nanomaterials have attracted significantly attention as one of the most promising antimicrobial agents for against multidrug resistant infections. The toxicological responses of nanomaterials are closely related to their physicochemical properties, and establishment of a structure-activity relationship for nanomaterials at the nano-bio interface is of great significance for deep understanding antibacterial toxicity mechanisms of nanomaterials and designing safer antibacterial nanomaterials. In this study, the antibacterial behaviors of well-defined crystallographic facets of a series of Au nanocrystals, including {100}-facet cubes, {110}-facet rhombic dodecahedra, {111}-facet octahedra, {221}-facet trisoctahedra and {720}-facet concave cubes, was investigated, using the model bacteria Staphylococcus aureus. We find that Au nanocrystals display substantial facet-dependent antibacterial activities. The low-index facets of cubes, octahedra, and rhombic dodecahedra show considerable antibacterial activity, whereas the high-index facets of trisoctahedra and concave cubes remained inert under biological conditions. This result is in stark contrast to the previous paradigm that the high-index facets were considered to have higher bioactivity as compared with low-index facets. The antibacterial mechanism studies have shown that the facet-dependent antibacterial behaviors of Au nanocrystals are mainly caused by differential bacterial membrane damage as well as inhibition of cellular enzymatic activity and energy metabolism. The faceted Au nanocrystals are unique in that they do not induce generation of reactive oxygen species, as validated for most antibiotics and antimicrobial nanostructures. Our findings may provide a deeper understanding of facet-dependent toxicological responses and suggest the complexities of the nanomaterial-cell interactions, shedding some light on the development of high performance Au nanomaterials-based antibacterial therapeutics. 相似文献
6.
催化动力学光度法测定水中痕量铁 总被引:4,自引:0,他引:4
本文研究了ph5.0的HAc-NaAc介质中,痕量铁催化过氧化氢氧化紫脲酸的褪色反应,建立了催化动力学光度法测定痕量铁的新方法,方法的线性范围0-0.40,0.40-2.0μg/25mL,检出限为8×10^-11g/mL,用于水样中痕量铁的测定,结果满意。 相似文献
7.
L-Quebrachitol (1) isolated from the root of Elaeagnus formosana Nakai (Elaeagnaceae) has not been reported before for any species of the genus of Elaeasnus. Its structure was established from spectral data and was completely characterized by single-crystal X-ray analysis. L-Quebrachitol crystallizes in the monoclinic system, space group P21, with cell parameters are a = 6.702(4), b = 7.207(4), c = 8.758(5) Å, β = 90.24(5)° and Z = 2. 相似文献
8.
Non-stoichiometric ternary chalcogenides (Zn,Fe)S were prepared in the film form by pyrolytic spray deposition technique, using air/nitrogen as the carrier gas. The precursor solution comprised of ZnCl2, FeCl2 and thiourea. The depositions were carried out under optimum conditions of experimental parameters viz. carrier gas (air/nitrogen) flow rate, concentration of precursor constituents, nozzle substrate distance and temperature of quartz substrate. The deposited thin films were later sintered in argon at 1073 K for 120 min.The structural, compositional and optical properties of the sintered thin films were studied. X-ray diffraction studies of the thin films indicated the presence of (Zn,Fe)S solid solution with prominent cubic sphalerite phase while surface morphology as determined by scanning electron microscopy (SEM) revealed a granular structure.The chemical composition of the resulting thin films as analyzed by energy dispersive X-ray analysis (EDAX) reflected the composition of the precursor solutions from which the depositions were carried out with Fe at% values ranging from 0.4 up to 33.SEM micrographs of thin films reveal that the grain sizes of the thin films prepared using air as carrier gas and N2 as carrier gas are in the vicinity of 300 and 150 nm, respectively.The diffuse transmittance measurements for thin films, as a function of wavelength reveal the dependence of direct optical band gap on Fe content and type of phase. 相似文献
9.
H.S RagabA Shehap M.S Abo EllilW.H Osman F.H Abd El-Kader 《Journal of Physics and Chemistry of Solids》2002,63(10):1839-1847
Ternary-phase ceramic system of Li2O Al2O3 4SiO2 doped with CuO, FeO and TiO2 has been prepared and subjected to dc electrical conductivity and thermally stimulated depolarization current (TSDC) measurements as a function of temperature (30-250 °C) and field strength. The electrical conductivity results are explained by assuming both ionic and electronic conduction mechanisms coexist with different contributions over the whole temperature range of experiments. TSDC spectra have been found to be characterized by a broad intense relaxation peak, which can be attributed to an ionic charge polarization. The broad relaxation transitions are apparently a result of the nonuniform nature of this process. Activation energies are calculated for both dc electrical conductivity and TSDC according to Arrhenius equation and initial rise method, respectively. 相似文献
10.
运用层析法、结晶法从狭苞橐吾全草中分离得到艾里莫芬烷型倍半萜8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide化合物,并通过质谱、核磁共振氢谱和碳谱、氢核-氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定.其单晶经X射线衍射测试表明,其晶体属正交晶系,空间群为P212121,晶胞参数为: a=6.8519(5),b=10.7191(8),c=18.5942(14)A,V=1365.67(18) A3,Z=4,Dc=1.354 mg/m3.F(000)=592,μ=0.101 mm-1 相似文献