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排序方式: 共有579条查询结果,搜索用时 31 毫秒
31.
Hubert Hřebabecký Milan Dejmek Martin Dračínský Michal Šála Pieter Leyssen Johan Neyts Martina Kaniaková Jan Krůšek Radim Nencka 《Tetrahedron》2012,68(4):1286-1298
Azanorbornylpurine derivatives were prepared by Mitsunobu reaction of appropriate hydroxyazanorbornane derivative with 6-chloropurine or construction of purine base at azanorbornylamines. The prepared target compounds were evaluated for antiviral activity and effect on neuronal and muscle nicotinic acetylcholine receptors. 相似文献
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In this research the effect of steps (lower coordinated surface atoms) and the presence of pre-adsorbed oxygen on the activation energy of water are studied with DFT. Without oxygen water activation is found to be structure insensitive. When oxygen is adsorbed on the surface and acts as the acceptor for the hydrogen at the step edge, the barrier will decrease significantly. 相似文献
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We generalize the modal interpretation of quantum mechanics so that it may be applied to composite systems represented by arbitrary density operators. We discuss the interpretation these density operators receive and relate this to the discussion about the interpretation of proper and improper mixtures in the standard interpretation. 相似文献
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The biosynthesis of the eremophilane sesquiterpenoid PR toxin is shown to involve an 1,2-hydride migration from C(5) to C(4) of the molecule. 相似文献
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Pieter Maaskant 《Mikrochimica acta》1989,97(1-2):31-39
Crystal fragments of biotite, garnet, and spinel were mounted together in one block which afterwards was sawn into several pieces; each piece was coated with SiO2 of varying thickness, up to 7.9m. Electron probe microanalysis was carried out at various accelerating voltages of the major elements present, using the non-SiO2-coated minerals as reference standard.Calibration curves, depth below the surface versus ratios of X-ray yields, have been established with the ultimate goal to use them for a (semi)-quantification of elements present in subsurface phases in quartz, a common host mineral in rocks. 相似文献
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We study the kinetics of crystal nucleation of an undercooled Lennard-Jones liquid using various path-sampling methods. We obtain the rate constant and elucidate the pathways for crystal nucleation. Analysis of the path ensemble reveals that crystal nucleation occurs along many different pathways, in which critical solid nuclei can be small, compact, and face centered cubic, but also large, less ordered, and more body centered cubic. The reaction coordinate thus includes, besides the cluster size, also the quality of the crystal structure. 相似文献
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Solutions for the fully compressible Navier–Stokes equations are presented for the flow and temperature fields in a cubic cavity with large horizontal temperature differences. The ideal-gas approximation for air is assumed and viscosity is computed using Sutherland's law. The three-dimensional case forms an extension of previous studies performed on a two-dimensional square cavity. The influence of imposed boundary conditions in the third dimension is investigated as a numerical experiment. Comparison is made between convergence rates in case of periodic and free-slip boundary conditions. Results with no-slip boundary conditions are presented as well. The effect of the Rayleigh number is studied. 相似文献