Ab initio Study of Mechanism of Forming
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Xiuhui Lu; Yuehua Xu; Zhenxia Lian; Yongqing Li
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Article
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2010
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John Wiley and Sons
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English
⚖ 245 KB
👁 1 views
## Abstract The mechanism of the cycloaddition reaction of forming a germanic hetero‐polycyclic compound between singlet germylidene (R1) and acetone (R2) has been investigated with CCSD(T)//MP2/6‐31G\* method. From the surface energy profile, it can be predicted that the dominant reaction pathway