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1.
P. Murzyn C. R. Pidgeon P. J. Phillips J. -P. Wells N. T. Gordon T. Ashley J. H. Jefferson T. M. Burke J. Giess M. Merrick B. N. Murdin C. D. Maxey 《Physica E: Low-dimensional Systems and Nanostructures》2004,20(3-4):220
We have made direct pump–probe measurements of spin lifetimes in long wavelength narrow-gap semiconductors at wavelengths between 4 and 10 μm and from 4 to 300 K. In particular, we measure remarkably long spin lifetimes, τs300 ps, even at 300 K for epilayers of degenerate n-type InSb. In this material the mobility is approximately constant between 77 and 300 K, and we find that τs is approximately constant in this temperature range. In order to determine the dominant spin relaxation mechanism we have investigated the temperature dependence of τs in non-degenerate lightly n-type Hg0.78Cd0.22Te of approximately the same band gap as InSb, and find that τs varies from 356 ps at 150 K to 24 ps at 300 K. Our results, both in magnitude and temperature dependence of τs, imply that the Elliott–Yafet model dominates in these materials. 相似文献
2.
3.
A new heuristic for the vehicle routeing problem which makes use of repeated matching is described. The numerical results are comparable to or better than the best published for most of the 14 benchmark problems commonly used to evaluate VRP heuristics. 相似文献
4.
Elizabeth M. Holt Balawant S. Joshi Dilip H. Gawad S. William Pelletier 《Journal of chemical crystallography》1990,20(3):261-264
The crystal and molecular structure of 1-ethyl-4-methoxy-9H-pyrido[3,4b]indole (crenatine) carbonate C14H14N2O·H2CO3, (MS, m/z 226)M
R
288.3, a-carboline alkaloid, has been determined from X-ray diffraction data. The compound crystallizes in the space group Pbca with cell parameters:a=11.616(4),b=18.450(8),c=12.992(5)Å,V=2784(2)Å3,Z=8,D
calc=1.375 g cm–3, (MoK)=0.71069Å,(Mo K)=0.94 cm–1,F(000)=1216,R/R
w
=8.2/10.3% for 1099 reflections. The ring system of the-carboline nucleus is planar. The title compound shows a two center hydrogen bond between the indole N-H group and the oxygen atom of a carbonate group. The structure does not display hydrogen bonding between-carboline groups but rather a bonding network involving the carbonate group. 相似文献
5.
Brian D. Hudson Ashley R. George Martyn G. Ford David J. Livingstone 《Journal of computer-aided molecular design》1992,6(2):191-201
Summary Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study. 相似文献
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Rabindra N. Roy Lakshmi N. Roy Jason G. Grant Mason P. Cummins Bennett J. Tabor III Sarah J. Richards Curtis A. Himes Bret R. Lively Penny L. Blackwell Ashley N. Simon 《Journal of solution chemistry》2002,31(11):861-872
The values of the second dissociation constant, pK
2, for the dissociation of the NH+ charge center of the zwitterionic buffer compounds 4-(N-morpholino)butanesulfonic acid (MOBS), and N-(2-hydroxyethyl)piperazine-N-4-butanesulfonic acid (HEPBS) have been determined from 5 to 55°C, including, 37°C at intervals of 5°C. The electromotive-force (emf) measurements have been made utilizing hydrogen electrodes and silver–silver chloride electrodes. The value of pK
2 for MOBS was found to be 7.702 ± 0.0005, and 8.284 ± 0.0004 for HEPBS, at 25°C, respectively. The related thermodynamic quantities, G
o, H
o, S
o, and C
p
o for the dissociation processes of MOBS and HEPBS have been derived from the temperature coefficients of pK
2. Both the MOBS and HEPBS buffer materials are useful as primary pH standards for the control of pH 7.3 to 8.6 in the region close to that of physiological fluids. 相似文献
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Accurate quantitation of the four lipid components in a vesicle formulation has been accomplished by selectively changing the high-performance liquid chromatographic mobile phase composition to arrive at an optimal separation requiring less than 10 min. A systematic approach to selection of the mobile phase conditions has minimized the number of experiments required to achieve the necessary separation. Relative standard deviations between one and four percent are obtained for the four lipid components. Accuracy, as measured by recovery experiments for spiked vesicle formulations, varies between one and two percent of target levels at the nominal lipid concentrations investigated. 相似文献
10.
Spies MA Woodward JJ Watnik MR Toney MD 《Journal of the American Chemical Society》2004,126(24):7464-7475
Free energy profiles for alanine racemase from Bacillus stearothermophilus have been determined at pH 6.9 and 8.9 from global analysis of racemization progress curves. This required a careful statistical design due to the problems in finding the global minimum in mean square for a system with eight adjustable parameters (i.e., the eight rate constants that describe the stepwise chemical mechanism). The free energy profiles obtained through these procedures are supported by independent experimental evidence: (1). steady-state kinetic constants, (2). solvent viscosity dependence, (3). spectral analysis of reaction intermediates, (4). equilibrium overshoots for progress curves measured in D(2)O, and (5). the magnitudes of calculated intrinsic kinetic isotope effects. The free energy profiles for the enzyme are compared to those of the uncatalyzed and the PLP catalyzed reactions. At pH 6.9, PLP lowers the free energy of activation for deprotonation by 8.4 kcal/mol, while the inclusion of apoenzyme along with PLP additionally lowers it by 11 kcal/mol. 相似文献