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991.
992.
Fourier transform infrared (FTIR) spectroscopy has being emphasised as a widespread technique in the quick assess of food components. In this work, procyanidins were extracted with methanol and acetone/water from the seeds of white and red grape varieties. A fractionation by graded methanol/chloroform precipitations allowed to obtain 26 samples that were characterised using thiolysis as pre-treatment followed by HPLC-UV and MS detection. The average degree of polymerisation (DPn) of the procyanidins in the samples ranged from 2 to 11 flavan-3-ol residues. FTIR spectroscopy within the wavenumbers region of 1800-700 cm−1 allowed to build a partial least squares (PLS1) regression model with 8 latent variables (LVs) for the estimation of the DPn, giving a RMSECV of 11.7%, with a R2 of 0.91 and a RMSEP of 2.58. The application of orthogonal projection to latent structures (O-PLS1) clarifies the interpretation of the regression model vectors. Moreover, the O-PLS procedure has removed 88% of non-correlated variations with the DPn, allowing to relate the increase of the absorbance peaks at 1203 and 1099 cm−1 with the increase of the DPn due to the higher proportion of substitutions in the aromatic ring of the polymerised procyanidin molecules. 相似文献
993.
The application of large-eddy simulation (LES) to particle-laden turbulence raises such a fundamental question as whether the LES with a subgrid scale (SGS) model can correctly predict Lagrangian time correlations (LTCs). Most of the currently existing SGS models are constructed based on the energy budget equations. Therefore, they are able to correctly predict energy spectra, but they may not ensure the correct prediction on the LTCs. Previous researches investigated the effect of the SGS modeling on the Eulerian time correlations. This paper is devoted to study the LTCs in LES. A direct numerical simulation (DNS) and the LES with a spectral eddy viscosity model are performed for isotropic turbulence and the LTCs are calculated using the passive vector method. Both a priori and a posteriori tests are carried out. It is observed that the subgrid;scale contributions to the LTCs cannot be simply ignored and the LES overpredicts the LTCs than the DNS. It is concluded from the straining hypothesis that an accurate prediction of enstrophy spectra is most critical to the prediction of the LTCs. 相似文献
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997.
我们利用稀土直接掺杂工艺 ,通过向带隙宽为 4~ 5eV的ⅡA ⅥA族化合物中掺入稀土离子Eu、Sm ,合成了电子俘获材料 (ETM ElectronTrap pingMaterial)CaS :Eu ,Sm。该材料具有红外上转换和光存储特性 ,其红外响应光谱宽 ( 0 .8~ 1 .6μm)、量子转换效率高达 76% [1 ,2 ] 、热稳定性好、使用方便 (室温下工作 ,不需制冷 )、造价低 ,并且具有“常光充能”特性 ,即不需紫外线预激发就能在室温下将红外光 ( 0 .8~ 1 .6μm)直接转换为醒目的可见红光 ,是一种优良的红外探测材料 ,利用该材料制作的… 相似文献
998.
Galactose oxidase (GOase) is a fungal enzyme which is unusual among metalloenzymes in appearing to catalyse the two electron
oxidation of primary alcohols to aldehydes and H2O2. The crystal structure of the enzyme reveals that the coordination geometry of mononuclear copper(II) ion is square pyramidal,
with two histidine imidazoles, a tyrosinate, and either H2O (pH 7.0) or acetate (from buffer,pH 4-5) in the equatorial sites and a tyrosinate ligand weakly bound in the axial position. This paper summarizes the results
of our studies on the structure, spectral and redox properties of certain novel models for the active site of the inactive
form of GOase. The monophenolato Cu(II) complexes of the type [Cu(L1)X][H(L1) = 2-(bis(pyrid-2-ylmethyl)aminomethyl)-4-nitrophenol and X− = Cl−
1, NCS−
2, CH3COO−
3, ClO4
−
4] reveal a distorted square pyramidal geometry around Cu(II) with an unusual axial coordination of phenolate moiety. The coordination
geometry of 3 is reminiscent of the active site of GOase with an axial phenolate and equatorial CH3COO− ligands. All the present complexes exhibit several electronic and EPR spectral features which are also similar to the enzyme.
Further, to establish the structural and spectroscopic consequences of the coordination of two tyrosinates in GOase enzyme,
we studied the monomeric copper(II) complexes containing two phenolates and imidazole/pyridine donors as closer structural
models for GOase. N,N-dimethylethylenediamine and N,N’-dimethylethylenediamine have been used as starting materials to obtain
a variety of 2,4-disubstituted phenolate ligands. The X-ray crystal structures of the complexes [Cu(L5)(py)], (8) [H2(L5) = N,N-dimethyl-N’,N’-bis(2-hydroxy-4-nitrobenzyl) ethylenediamine, py = pyridine] and [Cu(L8)(H2O)] (11), [H2(L8) = N,N’-dimethyl-N,N’-bis(2-hydroxy-4-nitrobenzyl)ethylenediamine] reveal distorted square pyramidal geometries around Cu(II) with the axial tertiary
amine nitrogen and water coordination respectively. Interestingly, for the latter complex there are two different molecules
present in the same unit cell containing the methyl groups of the ethylenediamine fragmentcis to each other in one molecule andtrans to each other in the other. The ligand field and EPR spectra of the model complexes reveal square-based geometries even in
solution. The electrochemical and chemical means of generating novel radical species of the model complexes, analogous to
the active form of the enzyme is presently under investigation. 相似文献
999.
Priya Budhani Sayed Aftab Iqbal Suman Malik Mamta Bhattacharya Liviu Mitu 《Journal of Saudi Chemical Society》2010,14(3):281-285
The present paper deals with the synthesis and characterization of Schiff base complexes of pyrazinamide an antitubercular drug. Metals selected for complexation are copper, silver, gold, zinc, mercury, iron and cobalt. The complexes have been suitably synthesized and isolated in pure powdered form. Analytical data agrees with the compositions M(L), M′(L)2 and M″(L)2·2H2O, respectively where M = Ag, M′ = Cu, Au, Zn and Hg and M″ = Fe and Co, ligand metal ratios were also confirmed by monovariation method and Job’s method of continuous variation. Molar conductance values suggest the non ionic nature of the complexes. The tentative structure assigned to the complexes on the basis of stoichiometry and analytical data were further supported by spectral studies viz; IR, NMR, magnetic susceptibility and electronic spectra. A preliminary attempt has also been made to compare the potencies of metal complexes with parent drug. The Cu and Ag complexes are giving encouraging results. Particle size studies further suggest that the drug molecule undergoes reduction in size on complexation. 相似文献
1000.
ZHANG Yan-Bin PING Jia-Lun LV Xiao-Fu ZONG Hong-Shi 《理论物理通讯》2008,50(7):125-128
In this paper, the gluon propagator in Landau gauge has been studied on a lattice, including the quenched and the unquenched one. The small geometry size of lattice we use is 16^3 × 32, and the big one is 20^3 × 64. For the quenched approximation, we fit the numerical results and give a little different fitting values. We also obtain unquenched effects by comparing the gluon propagator resulting from the quenched and unquenched configurations, for both the two-flavor and three-flavor cases. For the unquenched configurations, an obvious quark mass dependence has not been found in the small quark mass case, but is found in the three-flavor case when the quark mass is big. 相似文献