Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings

Jin B; Liu JY

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Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings

机译：基于平面双，三和四硅环的锂硫硅物种稳定结构的理论预测

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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.

机译：理论上已经在B3LYP / 6-311 + G（2d，p）水平上预测了可能的平面双，三和四重锂硫硅环结构。包含平面双硅环以及三环和四环的结构可以在此水平上保持稳定。同时，还证明了当扩展到平面多环硅环时，Li稳定化仍然有效。

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《Chemical Physics Letters》 |2010年第3期|共6页
作者
Jin B; Liu JY;
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正文语种 eng
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Theoretical prediction; stable structures; quadruple silicon rings;

机译：理论预测;稳定结构;四重硅环;

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Theoretical prediction of stable structures of lithiosilicon species based on planar double, triple, and quadruple silicon rings

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