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61.
The ground state, oxidized ground state, (3)MLCT and (3)MC excited states have been studied by DFT and TDDFT for two Ru(II) complexes bearing an N(6) or N(5)C coordination sphere. The effect of replacing one Ru-N dative bond by one Ru-C covalent bond have been studied and quantified on their ground state by the means of geometry optimization, NBO analysis and calculation of their IR vibrations. IR fingerprints of the Ru-C bond have been found at 945 and 1113 cm(-1). In addition, this study confirmed and quantified the effects of N→C(-) substitution on the spectroscopic properties of the [RuN(5)C](+) complex: a broader and bathochromically-shifted absorption spectrum, a smaller ground-(3)MLCT energy gap and a highly energetic (3)MC state are the major characteristics of the carbon-containing monocationic complex. 相似文献
62.
E. R. Dixon R. J. Laughlin C. J. Watson D. J. Hatch 《Rapid communications in mass spectrometry : RCM》2010,24(5):519-528
Nitrogenous materials can be transferred out of the topsoil, either vertically to a greater depth, or in lateral pathways to surface waters, and they may also become transformed, with the potential of generating environmentally active agents. We measured the production of NO and N2O in two contrasting subsoils (70 to 90 cm): one poorly drained and the other freely drained and compared this with the topsoil (0 to 20 cm) of the corresponding soils. The soils were incubated aerobically in jars with subtreatments of either synthetic cattle urine or deionised water and sampled at intervals up to 34 days. 15N‐NO was used to determine the processes responsible for NO and N2O production. The headspace was analysed for the concentrations of N2O, NO and CO2 and 15N enrichment of N2O. The soil samples were extracted and analysed for NO, NO and NH, and the 15N enrichment of the extracts was measured after conversion into N2O and N2. The study demonstrated the potential for NO, N2O and NO to be generated from subsoils in laboratory incubations. Differences in these N dynamics occurred due to subsoil drainage class. In the freely drained subsoil the rates of NO and NO production were higher than those observed for the corresponding topsoil, with mean maximum production rates of 3.5 µg NO‐N g−1 dry soil on day 16 and 0.12 µg NO‐N g−1 dry soil on day 31. The calculated total losses of N2O‐N as percentages of the applied synthetic urine N were 0.37% (freely drained subsoil), 0.24% (poorly drained subsoil), 0.43% (freely drained topsoil) and 2.09% (poorly drained topsoil). The calculated total losses of NO‐N as percentages of the applied synthetic urine N were 1.53% (freely drained subsoil), 0.02% (poorly drained subsoil), 0.25% (freely drained topsoil) and 0.08% (poorly drained topsoil). Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
63.
Berger CF Bern Z Dixon LJ Cordero FF Forde D Gleisberg T Ita H Kosower DA Maître D 《Physical review letters》2011,106(9):092001
We present the next-to-leading order (NLO) QCD results for W+4-jet production at hadron colliders. This is the first hadron-collider process with five final-state objects to be computed at NLO. It represents an important background to many searches for new physics at the energy frontier. Total cross sections, as well as distributions in the jet transverse momenta, are provided for the initial LHC energy of √s = 7 TeV. We use a leading-color approximation, known to be accurate to 3% for W production with fewer jets. The calculation uses the BLACKHAT library along with the SHERPA package. 相似文献
64.
65.
E. R. Dixon M. S. A. Blackwell M. S. Dhanoa Z. Berryman N. de la Fuente Martinez D. Junquera A. Martinez P. J. Murray H. F. Kemp W. Meier‐Augenstein A. Duffy R. Bol 《Rapid communications in mass spectrometry : RCM》2010,24(5):511-518
Variations in natural abundance of carbon (C) and nitrogen (N) stable isotopes are widely used as tools for many aspects of scientific research. By examining variations in the ratios of heavy to light stable isotopes, information can be obtained as to what physical, chemical and biological processes may be occurring. The spatial heterogeneity of soil δ15N‐ and δ13C‐values across a range of scales and under different land use have been described by a number of researchers and the natural abundances of the C and N stable isotopes in soils have been found to be correlated with many factors including hydrology, topography, land use, vegetation cover and climate. In this study the Latin square sampling +1 (LSS+1) sampling method was compared with a simple grid sampling approach for δ13C and δ15N measurement at the field scale. A set of 144 samples was collected and analysed for δ15N and δ13C from a 12 × 12 grid (in a 1 ha improved grassland field in south‐west England). The dimension of each cell of the grid was approximately 11 × 6 m. The 12 × 12 grid was divided into four 6 × 6 grids and the LSS+1 sampling technique was applied to these and the main 12 × 12 grid for a comparison of sample means and variation. The LSS+1 means from the 12 × 12 grid and the four 6 × 6 grids compared well with the overall grid mean because of the low variation within the field. The LSS+1 strategy (13 samples) generated representative samples from the 12 × 12 grid, and hence would be an acceptable method for sampling similar plots for the measurement of mean isotopic composition. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
66.
67.
In this short note a Tits alternative for certain kinds of groups which are residually of rank at mostr is obtained. The main theorem states that ifG is a group that is residually (locally (soluble-by-finite) of rankr), then eitherG is locally (soluble-by-finite) orG contains a non-abelian free subgroup.
The third author would like to thank the School of Mathematics at the University of Wales, Cardiff for its hospitality whild
part of this work was being done. 相似文献
68.
69.
Michael J. Dixon 《Experimental Mechanics》1991,31(1):21-24
When a materials testing machine is used dynamically, the force recorded by the load cell may differ from that experienced by the specimen. This error is caused by the mass of the load string, usually the grip, between the specimen and the load cell.The equations of motion for a testing machine are developed and the parameters affecting the error are identified. A system is described which removes the inertia error from the load-cell output by measurement of the acceleration of the mass. The effectiveness of the technique is assessed by the use of strain-gaged reference specimens, of different stiffnesses, for comparison with the load-cell output. Two methods for calibrating the system are used and their merits assessed. 相似文献
70.
Experimental Techniques - 相似文献