Ab initio study of n-tetrasilane cation
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Yoichi Yamaguchi
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Article
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1997
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John Wiley and Sons
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English
β 215 KB
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The geometric and electronic structures of n-tetrasilane cation and anion radicals as models of doped linear polysilanes are studied theoretically using an ab initio Ε½ . molecular orbital method at the UMP2r6-31 q G d, p level of calculations. It is found that the trans-conformations in these molecu