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排序方式: 共有183条查询结果,搜索用时 15 毫秒
1.
Mazurenko V. V. Kvashnin Y. O. Lichtenstein A. I. Katsnelson M. I. 《Journal of Experimental and Theoretical Physics》2021,132(4):506-516
Journal of Experimental and Theoretical Physics - Dzyaloshinskii–Moriya interaction, DMI in short, represents an antisymmetric type of magnetic interactions that favor orthogonal orientation... 相似文献
2.
The objective of this study was to develop and evaluate a supported capillary membrane sampling-gas chromatography method for the analysis of trihalomethanes (THMs) in drinking water. The effects of experimental parameters, such as flow rate of carrier gas, water temperature, ionic strengths of solutions and transfer line temperature on the system performance were investigated. The results of method detection limit and accuracy and precision studies are reported. 相似文献
3.
Pescitelli G Gabriel S Wang Y Fleischhauer J Woody RW Berova N 《Journal of the American Chemical Society》2003,125(25):7613-7628
Chiral bis-porphyrins are currently the subject of intense interest as chiral receptors and as probes in the determination of structure and stereochemistry. To provide an improved framework for interpreting the circular dichroism (CD) spectra of bis-porphyrins, we have calculated the CD spectra of chiral bis-porphyrins from three classes: I, where porphyrins can adopt a relatively wide range of orientations relative to each other; II, porphyrins have a fixed relative orientation; III, porphyrins undergo pi-stacking. The calculations primarily utilized the classical polarizability theory of DeVoe, but were supplemented by the quantum mechanical matrix method. Class I was represented by three isomers of the diester of 5alpha-cholestane-3,17-diol with 5-(4'-carboxyphenyl)-10,15,20-triphenylporphin (2-alphabeta, 2-betaalpha, 2-betabeta). Careful analysis of the torsional degrees of freedom led to two to four minimum-energy conformers for each isomer, in each of which the phenyl-porphyrin bonds had torsional angles near 90 degrees. Libration about these bonds is relatively unrestricted over a range of +/-45 degrees. CD spectra in the Soret region were calculated as Boltzmann-weighted averages over the low-energy conformers for each isomer. Three models were used: the effective transition moment model, in which only one of the degenerate Soret components is considered, along the 5-15 direction; the circular oscillator model, in which both Soret components are given equal weight; and the hybrid model, in which the 10-20 oscillator is given half the weight of the 5-15 oscillator, to mimic the effect of extensive librational averaging about the 5-15 direction. All three models predict Soret exciton couplets with signs in agreement with experiment. Quantitatively, the best results are given by the hybrid and circular oscillator models. These results validate the widely used effective transition moment model for qualitative assignments of bis-porphyrin chirality and thus permit application of the exciton chirality model. However, for quantitative studies, the circular oscillator or hybrid models should be used. The simplified effective transition moment and hybrid models are justified by the librational averaging in the class I bis-porphyrins and should only be used with such systems. Two class II bis-porphyrins were also studied by DeVoe method calculations in the circular oscillator model, which yielded good agreement with experiment. Class III bis-porphyrins were represented by 2-alphaalpha, for which the calculations gave qualitative agreement. However, limitations in the conformational analysis with the close contacts and dynamic effects in these pi-stacked systems preclude quantitative results. 相似文献
4.
E. Y. Vedmedenko N. Mikuszeit T. Stapelfeldt R. Wieser M. Potthoff A. I. Lichtenstein R. Wiesendanger 《The European Physical Journal B - Condensed Matter and Complex Systems》2011,80(3):331-336
Using exact diagonalization, Monte-Carlo, and mean-field techniques, characteristic temperature scales for ferromagnetic order
are discussed for the Ising and the classical anisotropic Heisenberg model on finite lattices in one and two dimensions.
The interplay between nearest-neighbor exchange, anisotropy and the presence of surfaces leads, as a function of temperature,
to a complex behavior of the distance-dependent spin-spin correlation function, which is very different from what is commonly
expected.
A finite experimental observation time is considered in addition, which is simulated within the Monte-Carlo approach by an
incomplete statistical average.
We find strong surface effects for small nanoparticles, which cannot be explained within a simple Landau or mean-field concept
and which give rise to characteristic trends of the spin-correlation function in different temperature regimes.
Unambiguous definitions of crossover temperatures for finite systems and an effective method to estimate the critical temperature
of corresponding infinite systems are given. 相似文献
5.
6.
On heating with hydroxylamine and on subsequent treatment with ferric chloride, pyrrolidonecarboxylic acid gives a colour reaction. This reaction can be used for the quantitative estimation of glutamic acid in protein hydrolyzates since this acid is almost completely converted into pyrrohdonecarboxylic acid at 125° and pH 3–4. 相似文献
7.
8.
B. Barnett D. Blockus M. Burka C. Y. Chien D. Christian W. Koska L. Madansky C. May Y. T. Oh A. Pevsner S. Wagner C. Woody N. C. Yang 《Physics letters. [Part B]》1983,120(4-6)
Results are presented from a search for a ρ0ρ0 enhancement in antiproton annihilations. A ρ0ρ0 resonance was recently observed in radiative ψ decays, and its existence has been supported by the results of an antiproton experiment at 5.7 GeV/c. No indication of this ρ0ρ0 enhancement is seen is our data, in direct contradiction with the earlier, lower statistics experiment. 相似文献
9.
Lysine may be determined in protein hydrolyzates with the aid of lysine decarboxylase contained in cell-free extracts of Salmonella hadar grown under suitable conditions. 相似文献
10.
A theory of the metal-insulator transition in vanadium dioxide from the high- temperature rutile to the low- temperature monoclinic phase is proposed on the basis of cluster dynamical mean-field theory, in conjunction with the density functional scheme. The interplay of strong electronic Coulomb interactions and structural distortions, in particular, the dimerization of vanadium atoms in the low-temperature phase, plays a crucial role. We find that VO2 is not a conventional Mott insulator, but that the formation of dynamical V-V singlet pairs due to strong Coulomb correlations is necessary to trigger the opening of a Peierls gap. 相似文献