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21.
Ahmed Fitouhi 《Constructive Approximation》1989,5(1):241-270
We generalize the theory of the heat polynomials introduced by P. V. Rosenbloom and D. V. Widder for a more general class of singular differential operator on (0, ). The heat polynomials associated with the Bessel operator and studied by D. T. Haimo appear as a particular case in this paper. In the special cases of second derivative and Bessel operators the heat polynomials are in fact polynomials inx andt, however, this property does not hold in general.Communicated by Tom. H. Koornwinder. 相似文献
22.
Toluene was methylated with methanol and disproportionated using catalysts containing different Pt contents (0.2, 0.4 and 0.6%) supported on H‐ZSM‐5 or H‐mordenite (H‐M) zeolites in a fixed‐bed flow‐reactor operated atmospherically at temperatures of 300–500 °C in a flow of hydrogen. Platinum dispersion in the zeolite supports and acid sites strength distribution were evaluated using hydrogen chemisorption (1:1 stoichiometry) and ammonia temperature programmed desorption (TPD) in a differential scanning calorimeter (DSC). Toluene methylation was much faster on all catalysts than toluene disproportionation (DISP). Both reactions were more accelerated using H‐ZSM‐5 containing catalysts than H‐M containing catalysts. The yield of xylenes, and in particular para‐xylene, was significantly influenced by the yield of trimethylbenzenes (TMBs) in product. The selectivities for para‐, ortho‐ and meta‐xylenes production were found largely dependent on the Pt content in the catalysts, particularly when supported on H‐ZSM5‐zeolite. However, using Pt/H‐M catalysts, these selectivities were not strictly controlled by Pt content in the catalysts. 相似文献
23.
Summary Complexes of CoII, NiII, CuII, PdII, and PtIV with 2,4,5-trihydroxybenzoic acid and its substituted phenylazoderivatives have been prepared, together with some mixed-metal (Co, Cu or Ni, Cu) complexes of itsm-nitro,m-carboxy andm-hydroxyarylazo derivatives. The stereochemistries and the modes of bonding of the complexes were elucidated by spectral and magnetic susceptibility measurements.Abstracted from her Ph.D. thesis. 相似文献
24.
Ahmed M. Mkadmh 《International journal of quantum chemistry》2020,120(23):e26393
Different isomers of N5+ were modeled at DFT(PBE0)/aug-cc-pV(Q + d)Z, and their ground(transition) state characteristics were assessed through frequency calculations. Single-point energies were accomplished at PBE0/aug-cc-pV(5 + d)Z. Nonlinear optical susceptibilities (NLO) of isomers were accomplished using Firefly, while the linear optical invariant was examined using the finite-field method, Firefly, and modified dipole field tensor in the presence of two different screening factors. The excited states, singlets and triplets, of were modeled at the CIS and CIS(D) and then their optical parameters were estimated at TDFT(PBE0)/aug-cc-pV(Q + d)Z using Firefly. The singlet is found the most stable isomer, with the inversional rate constant larger than that of the Cs isomer and high energy barrier with the triplet counterpart. Isomers 2 , 3 , and 4 are found local minima, while 5 and 6 are saddle points: transition states between equivalent invertomers. Energy calculations of the singlet and triplet isomers were in excellent agreement with the literature. An excellent correlation is found between the average polarizability and the impulse factor. Substantial variations were found between the singlet and triplet excited states in terms of energy, geometry, and optical properties from one side and with from the other side. Reactivity indices showed that N1 and N5 are the optimum nucleophilic and electrophilic reactivity sites. 相似文献
25.
N. A. Sharaf F. M. Ezz-Eldin A. A. Ahmed 《Journal of Radioanalytical and Nuclear Chemistry》1994,183(2):205-217
Absorption bands in the range of 350–950 nm, induced in copper-containing lead borate glasses by -rays were identified and characterized. The effect of irradiation dose, copper oxide and lead oxide contents on the intensity and position of the induced absorption bands were also considered. Several induced absorption bands were observed. At least two bands in the ranges of 740–780 and 850–870 nm could be identified. They are suggested to be associated with induced Cu(2+) ions. The band in the 800–830 nm (1.6 eV) range is ascribed to the Pb(3+) ion, whereas others in the ranges of 600–630 and 650–730 nm are associated with the intrinsic defects formed in the base glass. 相似文献
26.
Olfat Y. Mansour Ahmed Nagaty 《Journal of polymer science. Part A, Polymer chemistry》1975,13(12):2785-2793
Sodium bisulfite–soda lime glass has proved to be a good initiator for polymerization and graft polymerization onto cellulose of some vinyl monomers. A scheme dealing with the mechanism of initiation has been proposed assuming trapping of the bisulfite radical inside the glass frame-work to form a so-called sulfur-impregnated solid. Such a solid has paramagnetic properties and acts on the vinyl monomers and cellulose as any free-radical-producing source thus leading to polymerization and graft polymerization onto cellulose. Other radicals containing sulfur, such as sulfite, sulfate, and persulfate failed to give such property with soda lime glass. With the sodium bisulfite–soda lime glass system the reactivity decreases in the order methyl methacrylate > ethyl acrylate > acrylonitrile which is inconsistent with the arrangement of acceptor monomers with decreasing electron-donating ability. This may reflect interference of the addition reaction which may take place between the monomer and bisulfite and the rate of which may depend on the activation energy of the monomer. 相似文献
27.
Immobilized scandium triflate [Sc(OTf)3] in ionic liquids has been found to be an extremely efficient and recyclable catalyst for the thioacetalization and transthioacetalization of both aromatic and aliphatic aldehydes. Significant rate acceleration and chemoselectivity was achieved by employing this catalytic system. 相似文献
28.
A rapid access to 7-azaspiro[4.5]decan-6-ones 1 involving three regio- and chemoselective reactions starting from tetrabromonorbornyl derivatives is described. The alkaline H(2)O(2) cleavage reaction of monosubstituted alpha-diketones 9 furnished the potential bridged bicyclic lactones 10in a highly regio- and stereoselective manner. The radical-mediated, intermolecular bridgehead C-C bond formation of the versatile bridged lactones 10 with acrylonitrile followed by LAH reduction of the adduct 13 intriguingly leads to the formation of novel spirolactam building blocks 1. 相似文献
29.
A global optimization strategy, based upon application of a genetic algorithm (GA), is demonstrated as an approach for determining the structures of molecules possessing significant conformational flexibility directly from gas-phase electron diffraction data. In contrast to the common approach to molecular structure determination, based on trial-and-error assessment of structures available from quantum chemical calculations, the GA approach described here does not require expensive quantum mechanical calculations or manual searching of the potential energy surface of the sample molecule, relying instead upon simple comparison between the experimental and calculated diffraction pattern derived from a proposed trial molecular structure. Structures as complex as all-trans retinal and p-coumaric acid, both important chromophores in photosensing processes, may be determined by this approach. In the examples presented here, we find that the GA approach can determine the correct conformation of a flexible molecule described by 11 independent torsion angles. We also demonstrate applications to samples comprising a mixture of two distinct molecular conformations. With these results we conclude that applications of this approach are very promising in elucidating the structures of large molecules directly from electron diffraction data. 相似文献
30.
Ahmed El Abed Etienne Gaudin Jacques Darriet 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):i138-i140
Single crystals of Sr4Mn2.09Cu0.91O9 have been grown by flux synthesis and the structure, closely related to the hexagonal perovskite 2H, was solved from single‐crystal X‐ray data in space group P321. The structure of Sr4Mn2CuO9 is composed of chains of face‐sharing polyhedra with a sequence of two octahedra and one trigonal prism. The octahedra are filled by Mn atoms and the Cu atoms are randomly distributed at the centres of the square faces of the trigonal prism. A stacking fault is observed within one of the two chains, which can be attributed to a shifting of the chain along the c axis. 相似文献