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1.
The linear relaxation of a one-dimensional bonded fluid model is studied in the dynamical mean field approximation at the pair level. The results are compared with simulation data. Relaxation at low temperatures shows a cooperative character that can be understood in terms of a simple diffusion picture. 相似文献
2.
Hu J Chekmenev EY Gan Z Gor'kov PL Saha S Brey WW Cross TA 《Journal of the American Chemical Society》2005,127(34):11922-11923
Recently available ultrahigh magnetic fields offer new opportunities for studies of quadrupole nuclei in biological solids because of the dramatic enhancement in sensitivity and resolution associated with the reduction of second-order quadrupole interactions. Here, we present a new approach for understanding the function and energetics of ion solvation in channels using solid-state 17O NMR spectroscopy of single-site 17O-labeled gramicidin A. The chemical shift and quadrupole coupling parameters obtained in powder samples of lyophilized material are similar to those shown in the literature for carbonyl oxygens. In lipid bilayers, it is found that the carbonyl 17O anisotropic chemical shift of Leu10, one of the three carbonyl oxygens contributing to the ion binding site in gramicidin A, is altered by 40 ppm when K+ ion binds to the channel, demonstrating a high sensitivity to such interactions. Moreover, considering the large breadth of the carbonyl 17O chemical shift (>500 ppm), the recording of anisotropic 17O chemical shifts in bilayers aligned with respect to magnetic field B0 offers high-quality structural restraints similar to 15N and 13C anisotropic chemical shifts. 相似文献
3.
D. Mikhailova H. Ehrenberg D. Trots G. Brey H. Fuess 《Journal of solid state chemistry》2009,182(6):1506-951
Mixed chromium-rhenium oxides, CrxRe1−xO2 with 0.31?x?0.66, have been synthesized for the first time by high-pressure high-temperature synthesis and in evacuated quartz tubes. The crystal structures of the compounds have been determined by single crystal and powder X-ray diffraction. Depending on synthesis conditions (pressure and temperature) these phases crystallize either in a tetragonal structure (P42/mnm) with statistical distribution of metal ions on one site (rutile-type), with cation ordering along c-axis (trirutile-type), or in a monoclinic rutile-like structure (C2/m) with ordering of Cr- and Re-cations and metallic Re-Re bonds. The “a” parameter of the tetragonal unit cell increases with increasing Re content whereas the “c” parameter decreases, indicating a strengthening of the Re-Re bond. The thermal stability of tetragonal CrxRe1−xO2 in Ar-atmosphere depends on the Re-content, decomposition is observed at 1241 K for x=0.34, but already at 966 K for x=0.5. The thermal expansion of CrxRe1−xO2 is anisotropic with a larger expansion coefficient in the “c” direction. Tetragonal CrxRe1−xO2 with 0.31?x<0.54 order antiferromagnetically at low temperatures with TN depending on the Cr-content x. 相似文献
4.
Y Miao H Qin R Fu M Sharma TV Can I Hung S Luca PL Gor'kov WW Brey TA Cross 《Angewandte Chemie (International ed. in English)》2012,51(33):8383-8386
Validation: Membrane protein structures are sensitive to the environment used for structural characterization. NMR spectra of the full-length M2 proton channel from influenza?A were measured directly in E.?coli membranes and compared to spectra of the protein in synthetic lipid bilayers. The results demonstrate that these bilayers provide a native-like membrane environment. 相似文献
5.
6.
A procedure which incorporates the aspects of both correction matrix and digital filtering to compensate for sensitivity fall-off of the surface coil has been applied to clinical imaging. In this method the surface coil profile is determined using the surface coil image and a crude body coil image. Our results indicate that the corrected surface coil image exhibits the homogeneity of the body coil image while essentially preserving the sensitivity of the surface coil image. 相似文献
7.
Poly (ethylene glycol)-co-(
L
-Lactic acid) diacrylate (PEG-PLLA-DA) copolymers have been extensively investigated for a number of applications in medicine.
PEG-PLLA-DA is biodegradable and the human body can process its degradation products. In this study, we describe the autofluorescence
of PEG-PLLA-DA copolymers and compared it to the fluorescence of poly(ethylene glycol) diacrylate (PEG-DA) and the precursor
molecules used for their synthesis. In addition, we examined the influence of pH on the fluorescence spectra. We found that
PEG-PLLA-DA exhibits higher fluorescence than PEG-DA and all reagents involved in the synthesis of PEG-PLLA-DA. The fluorescence
of PEG-PLLA-DA was affected by pH with fluorescence decreasing at high pH values. At high pH, PEG-PLLA-DA could not polymerize
into hydrogels and exhibited a dramatic decrease in autofluorescence, suggesting that hydrolysis of the ester bond affected
its autofluorescence. At low pH, PEG-PLLA-DA exhibited higher fluorescence and it was able to form crosslinked hydrogels.
The autofluorescence of PEG-PLLA-DA could be exploited to monitor polymer degradation and material structure without the need
to introduce exogenous fluorescent probes. The origin of fluorescence is not clear at this point in time but it appears to
result from a synergetic effect of both lactate units and diacrylate groups in the PEG-PLLA-DA backbone. The observed autofluorescence
of PEG-PLLA-DA persists after reaction of the acrylate groups in the polymerization reaction. This autofluorescence is advantageous
because it could assist in the study of polymers used for drug delivery and tissue engineering applications. 相似文献
8.
We consider bilayer graphene in the presence of spin-orbit coupling, in order to assess its behavior as a topological insulator. The first Chern number n for the energy bands of single-layer graphene and that for the energy bands of bilayer graphene are computed and compared. It is shown that for a given valley and spin, n for a Bernal-stacked bilayer is doubled with respect to that for the monolayer. This implies that this form of bilayer graphene will have twice as many edge states as single-layer graphene, which we confirm with numerical calculations and analytically in the case of an armchair terminated surface. Bernal-stacked bilayer graphene is a weak topological insulator, whose surface spectrum is susceptible to gap opening under spin-mixing perturbations. We assess the stability of the associated topological bulk state of bilayer graphene under various perturbations. In contrast, we show that AA-stacked bilayer graphene is not a topological insulator unless the spin-orbit coupling is bigger than the interlayer hopping. Finally, we consider an intermediate situation in which only one of the two layers has spin-orbit coupling, and find that although individual valleys have non-trivial Chern numbers for the case of Bernal stacking, the spectrum as a whole is not gapped, so the system is not a topological insulator. 相似文献
9.
Gan Z Kwak HT Bird M Cross T Gor'kov P Brey W Shetty K 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2008,191(1):135-140
Resistive and resistive-superconducting hybrid magnets can generate dc magnetic fields much higher than conventional superconducting NMR magnets but the field spatial homogeneity and temporal stability are usually not sufficient for high-resolution NMR experiments. Hardware and technique development addressing these issues are presented for high-resolution NMR at magnetic fields up to 40T. Passive ferromagnetic shimming and magic-angle spinning are used effectively to reduce the broadening from inhomogeneous magnetic field. A phase correction technique based on simultaneous heteronuclear detection is developed to compensate magnetic field fluctuations to achieve high spectral resolution. 相似文献
10.
The NMR spectra of a series of 1,3,5-triazines (1) in which one or more of the substituent groups are fluorinated are described, and the results are discussed in terms of bonding and geometry of the molecules. Remote effects of unsymmetrical substitution are observed in the fluorine-19 and carbon-13 spectra, in some molecules indicating restricted rotation about the bond joining an amino group to a ring carbon. 相似文献