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1.
Marcelo Queiroz Joaquim Jú dice Carlos Humes Jr.. 《Mathematics of Computation》2004,73(248):1849-1863
In this paper the Eigenvalue Complementarity Problem (EiCP) with real symmetric matrices is addressed. It is shown that the symmetric (EiCP) is equivalent to finding an equilibrium solution of a differentiable optimization problem in a compact set. A necessary and sufficient condition for solvability is obtained which, when verified, gives a convenient starting point for any gradient-ascent local optimization method to converge to a solution of the (EiCP). It is further shown that similar results apply to the Symmetric Generalized Eigenvalue Complementarity Problem (GEiCP). Computational tests show that these reformulations improve the speed and robustness of the solution methods.
2.
A rapid, selective, sensitive and simple fluorescence method was developed for the direct determination of celecoxib in capsules. The capsules were emptied, pulverized and dissolved in either ethanol or acetonitrile, sonicated and filtered. Direct fluorescence emission was measured at 355±5 nm (exciting at 272 nm). The method was fully validated and the recoveries were excellent, even in presence of excipients. 相似文献
3.
Zeta potential studies show that the ATO nanoparticle surface is positively charged in pH range from 2 to 5 without oxalic acid. The addition of oxalic acid brings a charge reversal on the surface of ATO particle in a wide pH range. The interaction of oxalic acid with surface of ATO nanoparticle was studied by FTIR and indicates that the most probable mechanism is the formation of Sn-O-C bonds via the condensation reaction between the oxalic acid and surface hydroxyl groups. TEM, X-ray diffraction and UV-Vis-Near IR spectra were used to characterize the nanocrystalline ATO sol and thin gel film. 相似文献
4.
Application of stir bar sorptive extraction for wine analysis 总被引:4,自引:0,他引:4
Yoji?Hayasaka Kevin?MacNamara Gayle?A.?Baldock Randell?L.?Taylor Alan?P.?PollnitzEmail author 《Analytical and bioanalytical chemistry》2003,375(7):948-955
Stir bar sorptive extraction (SBSE) coupled with gas chromatography/mass spectrometry (GC/MS) was used to analyse wine samples for three applications: flavour and compositional analysis; 2,4,6-trichloroanisole (TCA), a common off-aroma in wine; and agrochemicals. SBSE was found to be orders of magnitude more sensitive than modern conventional methodology, allowing for lower detection and quantitation levels, and improved confirmation of identity; SBSE often gave better signal to noise in scan mode than other methods in selective ion monitoring (SIM) mode. With the help of their characteristic mass spectra all agrochemicals could be identified unambiguously at concentrations of 10 microg L(-1) in wine and a further 100 constituents were detected in a Cabernet Sauvignon sample. Thus it is now possible to analyse complex samples such as wine by scan mode, with better confirmation of identity, and without sacrificing sensitivity, where previously SIM methodology had to be used. 相似文献
5.
Veronica?StigssonEmail author G?ran?Kloow Ulf?Germg?rd Niclas?Andersson 《Cellulose (London, England)》2005,12(4):395-401
Controlling the reduction in molecular weight of the cellulose chains is essential in the production of carboxymethyl cellulose
(CMC). Such a reduction can be achieved by the addition of cobalt during the process of cobalt(II) ions, which act as a catalyst
for oxidative cleavage, and the influence thereof has been studied under a variety of conditions. This study has resulted
in a model that summarises the effects of the added amount of cobalt, the time for the cobalt reaction, the temperature in
the mercerisation stage of the CMC-manufacturing process and finally the effect of the temperature in the etherification stage.
It is shown that it is important for cobalt to be present during the mercerisation stage in order to achieve the desired viscosity. 相似文献
6.
The title compound, (isopropylxanthato)(phenyl)mercury(I), was synthesized and characterized by elemental analysis, IR and thermogravimetric analysis. Density functional theory (DFT) method calculations were performed at B3LYP/CEP-121G and B3LYP/CEP-31G levels of theory, respectively. Vibrational frequencies were predicted, assigned, compared with the experimental values, and they are supported each other. The calculated results show that the strength of bond Hg—C is stronger than that of Hg—S, which is good agreement with the experimental data. The calculations of the second order optical nonlinearity and electronic absorption spectra are also performed. 相似文献
7.
This paper reports the results of a variety of experiments carried out for understanding the solvation behavior of potassium thiocyanate in methanol–water mixtures. Electrical conductivity, speed of sound, viscosity, and FT-Raman spectra of potassium thiocyanate solutions in 5 and 10% methanol–water (w/w) mixtures were measured as functions of concentration and temperature. The conductivity and structural relaxation time suggest the ion–solvent and solvent-separated ion–ion associations increase as the salt concentration increases in the mixtures. The Raman band shifts due to the C–O stretching mode of methanol for the solvent mixtures reveal the formation of methanol–water complexes. The significant changes in the Raman bands for the C–N, C–S and O–H stretching modes indicate the presence of SCN−−solvent interactions through the N-end, “free” SCN− and the solvent-shared ion pairs as potassium thiocyanate is added to the methanol–water mixtures. The relative changes corresponding to H–O–H bending and C–O stretching frequencies indicate that K+ is preferentially solvated by water in these solvent mixtures. The appearance and increase of the intensity of a broad band at ≈940 cm−1 upon salt addition was attributed to the SCN−–H2O–K+ solvent-shared ion pairs. No Raman spectral evidence for K+(H2O)n species was observed. The preferential solvation of K+ and SCN− in the methanol−water mixtures was verified by the application of the Kirkwood−Buff theory of solutions. This theory confirms that K+ is strongly preferentially solvated by water, whereas SCN− is preferentially solvated by the methanol component. 相似文献
8.
Mohamed M.?KhalilEmail author Mohamed?Taha 《Monatshefte für Chemie / Chemical Monthly》2004,135(4):385-395
Summary. The formation equilibria for the binary complexes of CoII, NiII, CuII, ZnII, CdII, MnII, PbII, ThIV, UO2II, and CeIII with tricine and for the ternary complexes involving some -amino acids (glycine, -alanine, proline, serine, asparagine, and aspartic acid) were investigated using pH-metric technique. The formation of binary and ternary complexes was inferred from the pH-metric titration curves. It was deduced that tricine acts as a primary ligand in the ternary complexes involving the monocarboxylic amino acids (glycine, -alanine, proline, serine, and asparagine), whereas it behaves as a secondary ligand in the ternary systems containing the dicarboxylic aspartic acid. The ternary complex formation was found to take place in a stepwise manner. The stability constants of the complexes formed in aqueous solutions were determined potentiometrically under the experimental conditions (t=25°C, I=0.1moldm–3 NaNO3). The order of stability of the ternary complexes in terms of the nature of the amino acids is investigated and discussed. The values of log K for the ternary complexes have been evaluated and discussed. Evaluation of the effects of ionic strength and temperature of the medium on the stability of the ternary system MII-tricine--alanine (MII=CoII, NiII, and CuII) has been studied. The thermodynamic parameters were calculated and discussed. 相似文献
9.
Kalagouda?B.?GudasiEmail author Ramesh?S.?Vadavi Rashmi?V.?Shenoy Manjula?S.?Patil Siddappa?A.?Patil Munirathinam?Nethaji 《Transition Metal Chemistry》2005,30(6):661-668
The synthesis of cobalt(II), nickel(II) and zinc(II) complexes of 2-pyridine-2-yl-3(pyridine-2-carboxylideneamino)-1,2-dihydroquinazolin-4(3H)-one is described. The ligand and metal complexes were characterized by elemental analysis, conductivity measurements, spectral (u.v.–vis., i.r., 1D n.m.r., 2D hetcor and mass) and thermal studies. The cobalt(II) complex crystallizes as pink crystals in the monoclinic crystal system, space group P21/n with a = 10.066(6) Å, b = 15.929(9) Å, c = 12.624(7) Å, α = 90.00(9)°, β = 110.850 (8)°, γ = 90.00, V = 1891.5 (18) Å3 and Z = 4. The geometry around the cobalt atom is distorted trigonal bipyramidal with τ = 0.83 [structural parameter, τ = (β − α)/60; where α and β are the two basal angles in a five coordinate complex]. 相似文献
10.
T.?L.?Shanker Rao K.?N.?Lad A.?PratapEmail author 《Journal of Thermal Analysis and Calorimetry》2004,78(3):769-774
The crystallization kinetics of amorphous Cu50Ti50 has been studied using differential scanning calorimetry (DSC) under non-isothermal conditions. The curves at different linear heating rates (2, 4, 8 and 16 K min–1) show sharp crystallization peaks. The crystallization peak shifts to higher temperatures with increasing heating rate. The Kissingers method of analysis of the shift in the transformation peak is applied to evaluate the activation energy (E
c). The KJMA formalism, which is basically developed for isothermal experiments, is also used to obtain E
c and the Avrami parameter (n).The DSC data have been analysed in terms of kinetic parameters, viz. activation energy (E
c), Avrami exponent (n) and frequency factor K
0 using three different theoretical models. It is observed that the activation energy values derived from KJMA approach and modified Kissinger equation agree fairly well with each other. The activation energy values obtained from normal Kissinger method, and Gao and Wang expression underestimate the activation energy.The financial support provided by All India Council for Technical Education (AICTE), New Delhi (Govt. of India) is gratefully acknowledged. 相似文献