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1.
In this paper we consider the numerical approximation of steady and unsteady generalized Newtonian fluid flows using divergence free finite elements generated by the Powell–Sabin–Heindl elements. We derive a priori and a posteriori finite element error estimates and prove convergence of the method of successive approximations for the steady flow case. A priori error estimates of unsteady flows are also considered. These results provide a theoretical foundation and supporting numerical studies are to be provided in Part II. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
2.
3.
Juan Pablo Vielma 《Operations Research Letters》2007,35(1):29-35
Two independent proofs of the polyhedrality of the split closure of mixed integer linear program have been previously presented. Unfortunately neither of these proofs is constructive. In this paper, we present a constructive version of this proof. We also show that split cuts dominate a family of inequalities introduced by Köppe and Weismantel. 相似文献
4.
《Journal of Chemical Sciences》2005,117(5):525-531
The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It
has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated
compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of
the silicon atom for SiH
n
F4−n
and SiH
n
F
5−n
1−
. The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the
tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version
of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft
nucleophiles preferably react with SiH
n
F
5−n
1−
, and hard nucleophiles with SiH
n
F4−n
. 相似文献
5.
I. Iovel L. Golomba J. Popelis S. Grinberga E. Lukevics 《Chemistry of Heterocyclic Compounds》2003,39(1):49-55
The addition of hydrosilanes (HSiEt3, HSiMe2Ph, H2SiPh2) to the CH=N bond of heterocyclic azomethines has been studied in the presence of monovalent complexes of rhodium and palladium. The effect on the reaction of the CF3 group of the aldimines, which were obtained from O-, S-, and N-heteroaromatic aldehydes and 2-trifluoromethylaniline, has been clarified, as were other regularities of the processes being studied. A series of corresponding furans, thiophenes, and pyridine amines has been synthesized. 相似文献
6.
Marie-Laurence Mazure 《Advances in Computational Mathematics》2007,26(1-3):305-322
In order to ensure existence of a de Boor algorithm (hence of a B-spline basis) in a given spline space with (n+1)-dimensional sections, it is important to be able to generate each spline by restriction to the diagonal of a symmetric function of n variables supposed to be pseudoaffine w.r. to each variable. We proved that a way to obtain these three properties (symmetry, n-pseudoaffinity, diagonal property) is to suppose the existence of blossoms on the set of admissible n-tuples, given that blossoms are defined in a geometric way by means of intersections of osculating flats. In the present paper, we examine the converse: do symmetry, n-pseudoaffinity, and diagonal property imply existence of blossoms? 相似文献
7.
Philip Sternberg 《Journal of Combinatorial Theory, Series A》2007,114(5):809-824
Let g be a Lie algebra all of whose regular subalgebras of rank 2 are type A1×A1, A2, or C2, and let B be a crystal graph corresponding to a representation of g. We explicitly describe the local structure of B, confirming a conjecture of Stembridge. 相似文献
8.
The parameters that affect the shape of the band profiles of acido‐basic compounds under moderately overloaded conditions (sample size less than 500 nmol for a conventional column) in RPLC are discussed. Only analytes that have a single pKa are considered. In the buffer mobile phase used for their elution, their dissociation may, under certain conditions, cause a significant pH perturbation during the passage of the band. Two consecutive injections (3.3 and 10 μL) of each one of three sample solutions (0.5, 5, and 50 mM) of ten compounds were injected on five C18‐bonded packing materials, including the 5 μm Xterra‐C18 (121 Å), 5 μm Gemini‐C18 (110 Å), 5 μm Luna‐C18(2) (93 Å), 3.5 μm Extend‐C18 (80 Å), and 2.7 μm Halo‐C18 (90 Å). The mobile phase was an aqueous solution of methanol buffered at a constant WWpH of 6, with a phosphate buffer. The total concentration of the phosphate groups was constant at 50 mM. The methanol concentration was adjusted to keep all the retention factors between 1 and 10. The compounds injected were phenol, caffeine, 3‐phenyl 1‐propanol, 2‐phenyl butyric acid, amphetamine, aniline, benzylamine, p‐toluidine, procainamidium chloride, and propranololium chloride. Depending on the relative values of the analyte pKa and the buffer solution pH, these analytes elute as the neutral, the cationic, or the anionic species. The influence of structural parameters such as the charge, the size, and the hydrophobicity of the analytes on the shape of its overloaded band profile is discussed. Simple but general rules predict these shapes. An original adsorption model is proposed that accounts for the unusual peak shapes observed when the analyte is partially dissociated in the buffer solution during its elution. 相似文献
9.
10.
Preparation and characterization of nitrogen-doped TiO2 photocatalyst in different acid environments
Ye Cong Ling Xiao Jinlong Zhang Feng Chen Masakazu Anpo 《Research on Chemical Intermediates》2006,32(8):717-724
Nitrogen-doped TiO2 powders were successfully prepared by a wet method, i.e., a micro-emulsion-hydrothermal method, in different acid environments.
Several characterization techniques, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and UV-visible diffuse
reflectance spectra, were combined to determine the crystal phase, concentration and chemical states of the nitrogen doped
in TiO2. The high photocatalytic activity of the nitrogen-doped TiO2 was evaluated through the decomposition of rhodanmine B under visible light irradiation. It was suggested that the doped
nitrogen formed oxynitride (NO) and produced impurity states at higher above the valence band of TiO2. Therefore, the nitrogen doping could enhance the response of photocatalyst to the visible light and improve the photocatalytic
activity because of the narrowing of band gap of TiO2. 相似文献