Electronic Structures and Thermochemical Properties of the Small Silicon-Doped Boron Clusters BnSi (n=1-7) and Their Anions
作者： Truong Ba Tai , Paweł Kadłubański , Szczepan Roszak , Devashis Majumdar , Jerzy Leszczynski
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摘要: We perform a systematic investigation on small silicon‐doped boron clusters BnSi (n= 1–7) in both neutral and anionic states using density functional (DFT) and coupled‐cluster (CCSD …
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