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Φ2.6m 预应力混凝土管柔性外模振动研究
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作者 曾克非 《电力建设》 北大核心 1998年第1期14-17,24,共5页
采用能量泛函变分的方法,对柔性外模(钢模)的振动进行分析。在此基础上进行试验,以确定柔性外模振动的各项参数。试验结果证明,采用柔性钢模高频振动生产大直径混凝土管是成功的。
关键词 混凝土管 柔性外模 振动 预应力 能量泛函度分
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Unraveling weak interactions in aniline-pyrrole dimer clusters
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作者 Chengqian Yuan Pan An +2 位作者 Jing Chen Zhixun Luo Jiannian Yao 《Science China Chemistry》 SCIE EI CAS CSCD 2016年第10期1270-1276,共7页
Weak intermolecular interactions in aniline-pyrrole dimer clusters have been studied by the dispersion-corrected density functional theory(DFT) calculations. Two distinct types of hydrogen bonds are demonstrated with ... Weak intermolecular interactions in aniline-pyrrole dimer clusters have been studied by the dispersion-corrected density functional theory(DFT) calculations. Two distinct types of hydrogen bonds are demonstrated with optimized geometric structures and largest interaction energy moduli. Comprehensive spectroscopic analysis is also addressed revealing the orientation-dependent interactions by noting the altered red-shifts of the infrared and Raman activities. Then we employ natural bond orbital(NBO)analysis and atom in molecules(AIM) theory to have determined the origin and relative energetic contributions of the weak interactions in these systems. NBO and AIM calculations confirm the V-shaped dimer cluster is dominated by N.H···N and C.H···π hydrogen bonds, while the J-aggregated isomer is stabilized by N.H···π, n→π* and weak π···π* stacking interactions.The noncovalent interactions are also demonstrated via energy decomposition analysis associated with electrostatic and dispersion contributions. 展开更多
关键词 weak intermolecular interactions ANILINE PYRROLE dimer cluster hydrogen bonding nature bond orbital energy decomposition
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