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51.
In this paper we present a series of work covering a range of aspects relating molecular simulation to experiment. The importance
of surface mediation type effects to the adsorption of simple and complex gases is demonstrated. Coupled with the adsorption
of simple gases is their projection area when used for surface area determination. The pressure dependence of a projection
area is demonstrated for argon at 77 and 87.3 K. A simple model is used to account for the degree of graphitisation of a surface
is demonstrated and used to account for the isosteric heat behaviour of non-graphitised carbon blacks. Turning from surfaces
to porous solids, an alternative treatment of experiment data (either sub or super critical) is presented that avoids the
ambiguity of excess amounts adsorbed. Using this method one is able to obtain pore size distributions and amounts adsorbed
without relying on such things as helium expansion volumes. Since this type of method is usually applied to composite solids
we also demonstrate the correct method for calculating the heat of adsorption using independent sets of simulations. The final
topic covered in this paper is an example of the information that can be gained from the heat capacity of an adsorbed phase. 相似文献
52.
Hae‐Jeong Lee Christopher L. Soles Da‐Wei Liu Barry J. Bauer Wen‐Li Wu 《Journal of Polymer Science.Polymer Physics》2002,40(19):2170-2177
X‐ray reflectivity has been used to determine the mass uptake of probe molecules in porous thin films supported on thick silicon wafers. The adsorption occurs by capillary condensation when the films are exposed to probe vapor at controlled partial vapor pressures. The probe solvent partial pressure was varied by mixing saturated air and dry air at constant temperature or by changing sample temperature at a constant vapor concentration. Pore size distribution in the films can be calculated from the probe uptake with typical porosimetric approaches such as the application of the Kelvin equation to convert partial pressure into pore size. For illustration, the pore size distribution of three different nanoporous thin films, the primary candidate of ultra‐low‐k interlevel dielectrics in the next generation of integrated circuit chips, was determined with this technique. These samples represent different generations of low‐k dielectrics developed by industry. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 2170–2177, 2002 相似文献
53.
B. Gawdzik 《Chromatographia》1991,31(1-2):21-26
Summary Using inverse exclusion chromatography the porous structure of the copolymers of di(methacryloyloxymethyl)naphthalenes and divinylbenzene was investigated.In order to determine the pore size distributions of the copolymers, toluene, alkylphenones, phthalates and polystyrene standards were used as the probes.The measurements proved that the existence of micropores depend on the method of copolymerization. The copolymers obtained by suspension and emulsion methods are more or less microporous, but the copolymer prepared by thermal polymerization in mass does not include micropores in its internal structure. 相似文献
54.
55.
56.
P. C. Schulz 《Colloid and polymer science》1995,273(3):288-292
The diffusion coefficient of disodiumn-decane phosphonate micelles was studied by polarography at 25°C in NaCl and in NaOH solutions, and the size and aggregation number of the micelles was computed as a function of Na+ concentration. All other conditions being equal, the addition of NaCl produces micelles with an aggregation number one order of magnitude larger than the NaOH addition. This is due to the increase of the effective charge per micellized head group produced by the reaction of OH- with the hydrolized head groups which are mainly present as-PO3H- in the micellar Stern layer. 相似文献
57.
Katleen Boussu Jérémie De Baerdemaeker Charles Dauwe Marc Weber Kelvin G Lynn Diederik Depla Steliana Aldea Ivo F J Vankelecom Carlo Vandecasteele Bart Van der Bruggen 《Chemphyschem》2007,8(3):370-379
This study presents a methodology for an in-depth characterization of six representative commercial nanofiltration membranes. Laboratory-made polyethersulfone membranes are included for reference. Besides the physical characterization [molecular weight cut-off (MWCO), surface charge, roughness and hydrophobicity], the membranes are also studied for their chemical composition [attenuated total reflectance Fourier spectroscopy (ATR-FTIR) and X-ray photoelectron spectroscopy (XPS)] and porosity [positron annihilation spectroscopy (PAS)]. The chemical characterization indicates that all membranes are composed of at least two different layers. The presence of an additional third layer is proved and studied for membranes with a polyamide top layer. PAS experiments, in combination with FIB (focused ion beam) images, show that these membranes also have a thinner and a less porous skin layer (upper part of the top layer). In the skin layer, two different pore sizes are observed for all commercial membranes: a pore size of 1.25-1.55 angstroms as well as a pore size of 3.20-3.95 angstroms (both depending on the membrane type). Thus, the pore size distribution in nanofiltration membranes is bimodal, in contrast to the generally accepted log-normal distribution. Although the pore sizes are rather similar for all commercial membranes, their pore volume fraction and hence their porosity differ significantly. 相似文献
58.
Changeable size moving window partial least squares (CSMWPLS) and searching combination moving window partial least squares (SCMWPLS) are proposed to search for an optimized spectral interval and an optimized combination of spectral regions from informative regions obtained by a previously proposed spectral interval selection method, moving window partial least squares (MWPLSR) [Anal. Chem. 74 (2002) 3555]. The utilization of informative regions aims to construct better PLS models than those based on the whole spectral points. The purpose of CSMWPLS and SCMWPLS is to optimize the informative regions and their combination to further improve the prediction ability of the PLS models. The results of their application to an open-path (OP)/FT-IR spectra data set show that the proposed methods, especially SCMWPLS can find out an optimized combination, with which one can improve, often significantly, the performance of the corresponding PLS model, in terms of low prediction error, root mean square error of prediction (RMSEP) with the reasonable latent variable (LVs) number, comparing with the results obtained using whole spectra or direct combination of informative regions for a compound. Regions consisting of the combinations obtained can easily be explained by the existence of IR absorption bands in those spectral regions. 相似文献
59.
K. Grob 《Journal of separation science》1978,1(5):263-267
During one year continuous use of on-column injection, the typical advantages described in our first report have fully been confirmed. In addition the analysis of large sample volumes has proved promising. Only minor modifications have been applied to the on-column injector device. Broad evidence has been gathered showing that full separation efficiency of the capillary columns after on-column injection is attained only when cold trapping or the solvent effect, as band shortening mechanisms, are working- While, under the conditions of on-column injection, cold trapping is less efficient than with other injection techniques, the opposite holds true for the solvent effect. Compared with splitless injection, the danger of excessive solvent condensation on the column is increased. A working rule is presented for establishing the optimal chromatographic conditions for handling large sample volumes while ensuring full separation efficiency yet avoiding harm to the column. 相似文献
60.
Blagodatskikh I. V. Shchegolikhina O. I. Pozdnyakova Yu. A. Molodtsova Yu. A. Zhdanov A. A. 《Russian Chemical Bulletin》1994,43(6):993-998
Size exclusion chromatography was employed to elucidate the structure of the organosiloxane moiety in trimethylsiloxy derivatives of organometallosiloxanes containing Na, K, Ni, Mn, Cu, and Fe. An efficient technique of trimethylsilylation of organometallosiloxanes was developed to minimize alterations in their structure. The TMS derivatives of organometallosiloxanes were found to exist mostly as a more or less polydisperse mixture of cyclic poly[phenyltrimethylsiloxy siloxane]s. The preferred size of the cycles depends primarily on the nature of the metal in organometallosiloxane.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1057–1062, June, 1994.This work was performed with the financial support of the Russian Foundation for Basic Research (Grant No. 93-03-18121). 相似文献