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It is proposed that in molecular mechanics calculation points belonging to various stable or meta-sta-ble conformtrs are mixed up and form fractal structures in conformation space.The calculation results show the following two phenomena:(i)Two levels of structure with fractal feature were observed.Around the conformer without mirror symmetry points belonging to the conformer and its enantiomer are mixed up and form the first level of fractal structure; on the boundary of the attractive basin o{ each atlractor,points belonging to different attractors form the second level of fractal structure.(ii) The variation of molecular mechanics parameters will influence the structure and area of each attractive basin significantly The above phenomena may become the basis of a new method for solving the troublesome multi-minimum-point problem in molecular mechanics calculation. 相似文献
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在30~840K的温度区间内研究了YAG:Nd3+荧光谱线(由斯塔克能级R1、R2向Zi(i=1,5)跃迁所辐射的荧光)的相对强度随温度的变化。同时,还研究了该晶体的多光子荧光过程。 相似文献
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Erbium-doped silicon has been fabricated by ion implantation performed on a metal vapour vacuum arc ion source. After rapid thermal annealing (RTA), 1.54μm photoluminescence was observed at 77K. Rutherford backscattering spectrum indicated that Er ions are mainly distributed near the surface of the samples, and Er concentration exceeded 1021cm-3. Needle nanometre crystalline silicon (nc-Si) was formed on the substrate surface. Band edge emission spectrum at 10K verified that the minority carrier lifetime increased upon RTA. The photocarrier mediated processes enabled energy transferring from nc-Si (or c-Si) to the Er3+ ions and resulted in light emission of 1.54μm. 相似文献
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