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51.
A local interaction simulation approach (LISA) for the wave propagation in inhomogeneous 2D media is presented. The method is designed to take full advantage of massively parallel computing, such as provided by the Connection Machine. Crosspoints at the intersection of orthogonal interfaces separating media of different physical properties are treated in the framework of a sharp interface model. A comparison with finite difference techniques shows that the proposed method avoids the ambiguities due to the smoothing of the physical quantities, which is necessary in order to transform differential equations into finite difference equations. The smoothing procedure may cause severe numerical errors, when the variations of the physical properties across the interfaces are large.
In order to demonstrate the efficiency and reliability of the approach several examples of simulation of pulse propagation in different media are reported. 相似文献
52.
Yang Y Feng W Hu J Zou S Gao R Yamato K Kline M Cai Z Gao Y Wang Y Li Y Yang Y Yuan L Zeng XC Gong B 《Journal of the American Chemical Society》2011,133(46):18590-18593
Aromatic oligoamide macrocycles exhibit strong preference for highly directional association. Aggregation happens in both nonpolar and polar solvents but is weakened as solvent polarity increases. The strong, directional assembly is rationalized by the cooperative action of dipole-dipole and π-π stacking interactions, leading to long nanotubular assemblies that are confirmed by SEM, TEM, AFM, and XRD. The persistent nanotubular assemblies contain non-collapsible hydrophilic internal pores that mediate highly efficient ion transport observed with these macrocycles and serve as cylindrical sites for accommodating guests such as metal ions. 相似文献
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55.
Form factors for the electroexcitation of the + (1.27 MeV), + (2.23 MeV), and + (3.51 MeV) states in 31P have been measured for momentum transfers from 0.36 to 0.80 fm?1 at the NBS electron scattering facility. In addition, form factors for the 2.23 MeV state in the momentum transfer range 0.74 to 1.78 fm?1 have been extracted from data obtained in a previous experiment. Using the DUELS distorted-wave code the B(E2, ω) ↓ were found to be 6.0 ± 0.9, 6.9 ± 0.3, and 2.7 ± 0.3 W.u. for the 1.27, 2.23, and 3.51 MeV states, respectively. The form factors for these states, calculated using wave functions derived in an intermediate-coupling vibrational calculation, are compared with the data. 相似文献
56.
A. A. Kline T. N. Rogers M. E. Mullins B. C. Cornilsen Lj. M. Sokolov 《Journal of Sol-Gel Science and Technology》1994,2(1-3):269-272
Attenuated Total Reflectance (ATR) FTIR has been used to follow sol-gel synthesis kinetics for tetraethylorthosilicate (TEOS), ethanol, and water solutions yielding pure silicate materials. Aluminosilicates have also been made using TEOS:ethanol:water solutions doped with Al(III). Effective rate constants have been fitted to a kinetic model suggested by the literature for pure silicate materials. This model has been extended to include the effect of Al(III) on the rate constants. The effects of solution pH, temperature, and varying TEOS/Ethanol mole ratios have been investigated. Reliable effective rate constants for metal doped sol-gel solutions will lead to better control of the morphological and chemical properties of multi-component glass materials. 相似文献
57.
Radlinski AP Ioannidis MA Hinde AL Hainbuchner M Baron M Rauch H Kline SR 《Journal of colloid and interface science》2004,274(2):607-612
Backscatter SEM imaging and small-angle neutron scattering (SANS) data are combined within a statistical framework to quantify the microstructure of a porous solid in terms of a continuous pore-size distribution spanning over five orders of magnitude of length scale, from 10 A to 500 microm. The method is demonstrated on a sample of natural sandstone and the results are tested against mercury porosimetry (MP) and nuclear magnetic resonance (NMR) relaxation data. The rock microstructure is fractal (D=2.47) in the pore-size range 10 A-50 microm and Euclidean for larger length scales. The pore-size distribution is consistent with that determined by MP. The NMR data show a bimodal distribution of proton T(2) relaxation times, which is interpreted quantitatively using a model of relaxation in fractal pores. Pore-length scales derived from the NMR data are consistent with the geometrical parameters derived from both the SEM/SANS and MP data. The combined SANS/BSEM method furnishes new microstructural information that should facilitate the study of capillary phenomena in hydrocarbon reservoir rocks and other porous solids exhibiting broad pore-size distributions. 相似文献
58.
Epoxy-1,1,2-triehloroethane (1) was synthesized by the autuoxidation of trichloroethylene and was characterized. It was shown to react readily with 2-mercaptobenzirnidazole (2), 1 -melhyl-2-mercaptoimidazole ( 3 ), p-nitrolhiophenol ( 4 ), and 3,4-dichlorolhiophenol ( 5 ) forming 2-chloro-2-(benzirnidazole-2-thio)acelie acid ( 6 ), 2-ehloro-2-(1-methylirnidazole-2-thio)aeetic acid (characterized as methyl ester ( 8 )), 2-chloro-2-(4-nitrolhiothiophenoxy)-4-nilrophenylthioaeetate (9), and 2-chloro-2-(3,4-dichlorothiophenoxy)-3,4-dichlorophenylthioaeetale ( 10 ), respectively. Base hydrolysis of 9 yielded 2,2-di(4-nilrothiophenoxy)acetie acid ( 11 ). Adducl 9 decomposed on silica gel yielding p-nitrophcnyldisulfide ( 12 ). 相似文献
59.
The effect of γ-irradiation and post-irradiation heat treatment on the specific volume versus temperature relationships of polytetrafluoroethylene (PTFE) samples (1/2-in. diameter rods) have been studied over the 40–150°C. temperature range for radiation doses up to 8.9 X 108 rad. At low doses the specific volume at any temperature decreased with dose, but above about 108 rad it increased with dose. Similarly, the rate of volumetric expansion initially decreased with dose, while, at very high doses (8.9 X 108 rad) the rate of expansion at temperatures above 100°C. exceeded that of the unirradiated PTFE. Heating at 150°C. for 100 hr. produced a substantial decrease in the specific volume and a decrease in the rate of expansion for the irradiated samples. Irradiation effects in PTFE are considered to be a result of such factors as radiation-induced chain scission, increased crystallinity, and increased void content. Changes resulting from post-irradiation heat treatment can be attributed to increased crystallinity, decreased void content, and weight loss. 相似文献
60.
The ?-X electronic absorption spectrum of propargyl peroxy radical has been recorded at room temperature by cavity ring-down spectroscopy. Electronic structure calculations predict two isomeric forms, acetylenic and allenic, with two stable conformers for each. The acetylenic trans conformer, with a band origin at 7631.8 ± 0.1 cm(-1), is definitively assigned on the basis of ab initio calculations and rotational simulations, and possible assignments for the acetylenic gauche and allenic trans forms are given. A fourth form, allenic cis, is not observed. Simulations based on calculated torsional potentials predict that the allenic trans form will have a long, poorly resolved progression in the OOCC torsional vibration, consistent with experimental observations. 相似文献