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971.
Y. Z. Song J. M. Xie Y. Song Y. Ye 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2007,81(10):1669-1676
The geometric parameters, vibrational frequencies, and thermochemical values of p-quinonimine (p-AQ) and p-aminophenol (p-AP) were computed ab initio (IIF) and by the density functional theory (DFT) method with the 6-31G(d, p) basis set. Cyclic voltammetry with a golden electrode of p-AP solutions in phosphate buffers at pH 7.30 showed that the standard electrode potential of half reaction for p-QI and p-AP was 0.728 V. The standard electrode potentials of half reactions for p-QI and p-AP were calculated using the free energies and solvation energies of p-QI, p-AP, p-benzoquinone (p-BQ), and hydroquinone (p-HQ). The results showed that the standard electrode potential of half reaction for p-QI and p-AP was 0.743 V at the B3LYP/6-31G(d, p) level and 0.755 V at the HF/6-31G(d, p) level. The standard electrode potentials computed at the B3LYP/6-31G(d, p) and HF/6-31G(d, p) levels were close to their experimental values.
The article is published in the original. 相似文献
972.
Z. Bartczak 《European Polymer Journal》2006,42(8):1819-1829
Blends of isotactic propylene-ran-ethylene (EP) and propylene-ran-(1-butene) (BP) copolymers with various comonomer content (2-3.1 wt.% ethylene, 9.9 wt.% 1-butene), were prepared in Brabender internal mixer at various compositions (25/75, 50/50, 75/25). Static, impact and dynamic mechanical behavior of copolymers and their blends was investigated. The crystalline structure was studied by DSC and SAXS analysis. For all copolymers the lamellar thickness, crystallinity degree and glass transition temperature are lower than those of iPP homopolymer, depending on the comonomer content. It was found that the copolymers exhibit improved impact strength as compared to plain iPP, due to lower crystallinity and higher mobility of chains within amorphous component. Moreover, the elastic modulus as well as the yield behavior of the examined samples resulted to depend primarily on the amount of the crystalline phase and the thickness of the lamellar crystals, respectively. A linear dependence of yield stress on the logarithm of reciprocal lamellar thickness was observed for blends and copolymers, supporting the concept of thermal nucleation of dislocations which control the crystallographic slip processes initiated at the yield point. The blends of BPS with either EPS or EP2 display complete miscibility in the entire range of composition and their mechanical properties are intermediate between those of plain components, changing gradually with the composition. 相似文献
973.
Summary Rare earth elements 1,3,5-benzenetricarboxylates were prepared as solids of the general formula Ln(C9H3O6)·nH2O, where n=6 for La-Dy and n=4 for Ho-Lu,Y. Their solubilities in water at 293 K are of the order 10-4-10-6 mol dm-3. The IR spectra of the complexes indicate that the carboxylate groups are bridging and bidentate chelates. Hydrated 1,3,5-benzenetricarboxylates
lose water molecules during heating in one step (La-Tb), two steps (Y, Ho-Tm) or three steps (Dy, Yb, Lu). The anhydrous complexes
are stable up to 573-742 K and decompose to oxides (Ce-Lu) at higher temperatures. 相似文献
974.
975.
A Rosenthal D Cech V.P Veiko T.S Orezkaja E.A Romanova A.A Elov V.G Metelev E.S Gromova Z.A Shabarova 《Tetrahedron letters》1984,25(39):4353-4356
In order to investigate the interaction of Eco RII restriction and modification enzymes with synthetic DNA fragments three nonadeoxyribonucleotides containing the modified bases uracil, 5-bromouracil and 5-methylcytosine were synthesized according to the phosphate tri-ester approach using TPS/l-methylimidazole as the condensation agent. The patterns of these modified DNA fragments obtained by Maxam/Gilbert sequence technique are presented. 相似文献
976.
Holclajtner-Antunović Raspopović Z Georgijević Tripković M Georgijević J 《Analytical and bioanalytical chemistry》1996,356(8):471-475
A systematic parametric study of an LTE (local thermodynamic equilibrium) mathematical model of pure inductively coupled argon plasma (ICAP) used for spectrochemical purposes was performed by means of computer simulations. The spatial distributions of temperature, gas velocity, magnetic field and energy losses were investigated under typical plasma operating conditions as function of the ICAP geometrical dimensions and dynamic parameters. These theoretical calculations can be used to predict the properties of the applied plasma in the course of practical work, to choose the optimal conditions by changing the operating parameters and to interpret existing analytical results. 相似文献
977.
Optimization of performance and minimization of silicate interference in continuous flow phosphate analysis 总被引:1,自引:0,他引:1
Specific reaction conditions for automated continuous flow analysis of phosphate are optimized in regard to minimizing coating and silicate interference, while maintaining high sensitivity. Use of Sb in the reagent increases sensitivity and yields absorbances with little temperature dependence. Coating can be minimized by using a final solution at a pH>0.5. At final pH of 0.78 there is maximum interference from silicate in the sample. We recommend therefore as an optimal reaction condition with minimal silicate interference, the use of Sb, a final solution pH of 1.00, room temperature for the reaction and a [H(+)]/[Mo] ratio of 70. An equation is provided to correct silicate interference in high precision phosphate determination. 相似文献
978.
The role of rigid unit modes in negative thermal expansion 总被引:1,自引:0,他引:1
J.Z Tao 《Journal of solid state chemistry》2003,173(2):442-448
The rigid unit mode (RUM) model provides a valuable computational method to investigate correlations of transverse thermal motions of atoms important in negative thermal expansion (NTE) materials. We report here detailed RUM calculations of ten framework oxide structures that have been studied for their negative (or ultra low) thermal expansion properties. The results negate any simple and direct correlation between presence or absence of RUMs in a structure and its NTE property. All the structures considered can be viewed as networks of polyhedral connected by corners only. All evidence supports the importance the transverse motion of the atoms at the corners, but NTE does not correlate well with the presence RUMs for the polyhedra. 相似文献
979.
The performance characteristics of potassium-selective electrodes made with valinomycin membranes plasticized with dioctyl adipate or sebacate, and with a solid silver contact or an internal solution, have been critically examined. The choice of electrode depends on a number of factors, including the interfering ion(s) present. The electrodes can be used for determination of potassium in natural waters. 相似文献
980.
A. A. Krauze Z. A. Bomika A. M. Shestopalov L. A. Rodinovskaya Yu. É. Pelcher G. Ya. Dubur Yu. A. Sharanin V. K. Promonenkov 《Chemistry of Heterocyclic Compounds》1981,17(3):279-284
New methods for the synthesis of 3-cyanopyridine-2-thiones by the reaction of -keto nitroles with sulfur and by condensation of chalcones or benzylideneacetone with cyanothioacetamide are given. The compounds obtained were used in various reactions for the preparation of alkylated products, disulfides, and condensed heterocycles, viz., thieno[2,3-b]pyridines and pyrido[2,3:2,3]thieno[4,5-d]-pyrimidines.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 377–382, March, 1981. 相似文献