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题名: Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings
作者: Jin, Bing1;  Liu, Jian-Yong1
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2010-05-07
DOI: 10.1016/j.cplett.2010.03.065
卷: 491, 期:1-3, 页:33-38
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Possible planar double, triple, and quadruple lithiosilicon ring structures have been theoretically predicted at the B3LYP/6-311+G (2d, p) level. The structures containing planar double silicon ring as well as triple and quadruple ring could be stable at this level. Meanwhile, it was also demonstrated that Li stabilization was still effective when extending to planar polycyclic silicon rings. (C) 2010 Elsevier B.V. All rights reserved.
关键词[WOS]: ORGANIC SEMICONDUCTORS ;  AB-INITIO ;  AROMATICITY ;  TRANSPORT ;  CLUSTERS ;  SI3C3
语种: 英语
WOS记录号: WOS:000276980300007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142238
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Jin, Bing,Liu, Jian-Yong. Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings[J]. CHEMICAL PHYSICS LETTERS,2010,491(1-3):33-38.
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