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  5. Theoretical studies on the structures and isomerization of the LiSiF<sub>3</sub> system

Theoretical studies on the structures and isomerization of the LiSiF<sub>3</sub> system

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：tianxiang521
【摘 要】
：
Various possible isomers of LiSiF<sub>3</sub> system and isomerization between them have been studied at G2（MP2） level using ab initio calculations. The relative
【作 者】
：
冯大诚 林启君 冯圣玉 吕文彩 
【出 处】
：
中国科学：化学英文版
【发表日期】
：
1999年4期
【关键词】
：
LiSiF3 SYSTEM ab INITIO calculation G2(MP2) isomerization. LiSiF3  system  ab in 
【基金项目】
：
Project supported by the National Natural Science Foundation of China (Grant No. 29673026).
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论文部分内容阅读
Various possible isomers of LiSiF<sub>3</sub> system and isomerization between them have been studied at G2（MP2） level using ab initio calculations. The relative energies of four minimum points on the potential energy surface are -128.6, -194.
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