Geometric and electronic structures of t
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Yang Jinlong; F. Toigo; Wang Kelin
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Article
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1994
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Elsevier Science
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English
⚖ 375 KB
Local spin density functional calculations are performed to study the geometric and electronic structures of the MoC., cluster. A number of possible isomeric structures are examined. The most stable structures is found to be a linear chain, where MO is at one end of the chain. The electronic structu