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31.
Hunter CA Low CM Rotger C Vinter JG Zonta C 《Chemical communications (Cambridge, England)》2003,(7):834-835
Chemical double mutant cycles have been used to quantify cation-pi interactions in chloroform as a function of the nature of the counteranion. The cation-pi interaction is -2.5 +/- 0.4 kJ mol(-1) and independent of the anion, even though the overall stability of the complexes varies by an order of magnitude due to competition of the anion for alternative binding sites. 相似文献
32.
Hydrogen adsorption on Pt(6)H(n) clusters leads to striking changes in the Pt L(2,3) x-ray absorption spectra. These effects are interpreted using a self-consistent real space Green's function approach. Calculations show that they are due largely to changes in the atomic background contribution to x-ray absorption (i.e., atomic x-ray absorption fine structure) and to reduced Pt-Pt scattering at the edge, while Pt-H multiple scattering is relatively weak. The origin of both effects is traced to the change in the local Pt potential due to Pt-H bonding. 相似文献
33.
Simon J. Garden Christopher Glidewell John N. Low Susan A. McWilliam Angelo C. Pinto Janet M. S. Skakle Jose C. Torres James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1212-1214
In the title compound, C7H7IN2O2, the O atoms of the nitro group are disordered over two sets of sites and there is evidence that the intramolecular I⃛nitro interaction is repulsive. In the crystal structure, there are neither strong hydrogen bonds, nor intermolecular I⃛nitro interactions, nor aromatic π–π-stacking interactions. 相似文献
34.
There have been a few recent numerical implementations of the stress‐jump condition at the interface of conjugate flows, which couple the governing equations for flows in the porous and homogenous fluid domains. These previous demonstration cases were for two‐dimensional, planar flows with simple geometries, for example, flow over a porous layer or flow through a porous plug. The present study implements the interfacial stress‐jump condition for a non‐planar flow with three velocity components, which is more realistic in terms of practical flow applications. The steady, laminar, Newtonian flow in a stirred micro‐bioreactor with a porous scaffold inside was investigated. It is shown how to implement the interfacial jump condition on the radial, axial, and swirling velocity components. To avoid a full three‐dimensional simulation, the flow is assumed to be independent of the azimuthal direction, which makes it an axisymmetric flow with a swirling velocity. The present interface treatment is suitable for non‐flat surfaces, which is achieved by applying the finite volume method based on body‐fitted and multi‐block grids. The numerical simulations show that a vortex breakdown bubble, attached to the free surface, occurs above a certain Reynolds number. The presence of the porous scaffold delays the onset of vortex breakdown and confines it to a region above the scaffold. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
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May Lee Low Cheang Wei Chan Pei Ying Ng Ing Hong Ooi Mohd Jamil Maah Soi Moi Chye 《Journal of Coordination Chemistry》2017,70(2):223-241
Three ternary copper(II) complexes, [Cu(phen)(L-phe)Cl]·2H2O, [Cu(phen)(L-leu)Cl]·4½H2O, and [Cu(phen)(L-tyr)Cl]·3H2O, and four binary copper(II) complexes, [Cu(phen)Cl2], Cu(L-phe)2·½H2O, Cu(L-leu)2·½H2O, and Cu(L-tyr)2·H2O (where phen = 110-phenanthroline, L-phe = L-phenylalanine, L-tyr = L-tyrosine, L-leu = L-leucine and Cl- = chloride), were synthesized and characterized by elemental analysis, spectroscopic techniques (FTIR, UV–visible, fluorescence spectroscopy), magnetic susceptibility, molar conductivity, and lipophilicity measurement. X-ray diffraction determination of a single crystal of [Cu(phen)(L-tyr)Cl] showed two independent molecules in the asymmetric unit, each with the same distorted square pyramidal geometry about copper(II). p-Nitrosodimethylaniline assay revealed that the three ternary complexes were better inducers of reactive oxygen species over time than binary complexes, CuCl2, and free ligands. All the copper(II) complexes in this series inhibited the three proteolytic activities in the order Trypsin-like > Caspase-like > Chymotrypsin-like. In terms of anticancer properties, the copper(II)-phen complexes had GI50 values of less than 4 μM against MCF-7, HepG2, CNE1 and A549 cancer cell lines, more potent than cisplatin. 相似文献
38.
Highly crystalline, nanostructured, three-dimensional β-PbO2 coatings were successfully obtained by galvanostatic deposition from baths containing aqueous lead(II) and methanesulfonic acid (CH3SO3H). This constitutes a much more environmentally friendly methodology compared to plating of β-PbO2 in HNO3. The deposits exhibited high quality and good adherence. The crystallite size was in the range 20–30 nm and AFM imaging revealed very uniform, rough deposits (i.e., 255–275 nm rms). The oxidative destruction of Methyl Orange azo dye was studied by electrochemical advanced oxidation processes (EAOPs). An electro-Fenton process with a high surface area carbon-felt cathode performed better than the single anodic oxidation. Rapid and complete decolorisation was achieved following pseudo first-order kinetics. The stability of the β-PbO2 electrodes during the electrolyses was also demonstrated. 相似文献
39.
Miniaturized and tunable optical components, such as the waveguide, lens, and prism, have been of great interest for lab-on-chip systems. This Letter reports an optofluidic aperture stop formed by the liquid-core/liquid-cladding flow. The aperture size can be tuned accordingly by adjusting the flow rates. Manipulation of the aperture size allows control of the amount of light passing through the corresponding optical system as well as the angular aperture on the image side. This optofluidic aperture enables lab-on-chip optical systems to have a greater flexibility and more functionalities. 相似文献
40.
This paper presents the investigation of the properties of GaN nanowires synthesized from Ni-catalyzed chemical vapour deposition method under various growth temperatures. The influence of the growth temperatures on the morphological, structural and optical characteristics of the synthesized GaN nanowires was investigated in this work. Field-emission scanning electron microscopy images revealed that the 950 °C was the optimal growth temperature for synthesizing uniform, straight and smooth morphology of GaN nanowires. X-ray diffraction results demonstrated that the synthesized low dimensional GaN structures have the hexagonal wurtzite structure. Ultraviolet and blue emissions were detected from photoluminescence measurements. In addition, phonon replicas with the energy separation of 90 meV have been observed at the lower energy of the blue emission region in photoluminescence spectra. 相似文献