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饱和漆酚双冠醚的电子电离质谱
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作者 句颖 苏京哲 +3 位作者 汪聪慧 石正金 曾凡 黄载福 《分析测试通报》 CSCD 1992年第3期13-18,共6页
本文总结了饱和漆酚双冠醚电子电离质谱的裂解规律。十个测试样品的结构均为二个芳香冠醚通过NHCORCONH对称桥连而成。当R为烷基时,裂解首先发生在酰胺键或其邻近的键上。R为芳基时则在分子的冠醚部份首先发生裂解。文中还叙述了在某些... 本文总结了饱和漆酚双冠醚电子电离质谱的裂解规律。十个测试样品的结构均为二个芳香冠醚通过NHCORCONH对称桥连而成。当R为烷基时,裂解首先发生在酰胺键或其邻近的键上。R为芳基时则在分子的冠醚部份首先发生裂解。文中还叙述了在某些化合物中的特殊的氢重排反应。 展开更多
关键词 电子电离质谱 冠醚 饱和漆酚
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Molecular dynamics simulations on the dynamics of two-dimensional rounded squares 被引量:1
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作者 Zhang-lin Hou Ying Ju +2 位作者 Yi-wu Zong Fang-fu Ye Kun Zhao 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第8期612-618,共7页
The collective motion of rounded squares with different comer-roundness ζ is studied by molecular dynamlcs (MD) simulation in this work. Three types of translational collective motion pattern are observed, includin... The collective motion of rounded squares with different comer-roundness ζ is studied by molecular dynamlcs (MD) simulation in this work. Three types of translational collective motion pattern are observed, including', gliding, hopping and a mixture of gliding and hopping. Quantitatively, the dynamics of each observed ordered phase is characterized by both mean square displacement and van Hove functions for both translation and rotation. The effect of corner-roundness on the dynamics is further studied by comparing the dynamics of the rhombic crystal phases folmed by different comer-.rounded particles at a same surface fraction. The results show that as ζ increases from 0.286 to 0.667, the translational collective motion of particles changes from a gliding-dominant pattern to a hopping-dominant patte;n, whereas the rotational motion pattern is hopping-like and does not change in its type, but the rotational hopping becomes much more frequent as increases (i.e., as particles become more rounded). A simple geometrical model is proposed to explain the trend of gliding motion observed in MD simulations. 展开更多
关键词 molecular dynamics simulation rounded square hoppin GLIDING collec tive motion
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