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- W2017748233 abstract "We present a first-principles molecular dynamics study of acetylene adsorption on the Si(001) surface. Acetylene molecules are di-σ bonded to the first layer Si dimers with the adsorption energy of 64.8 kcal/mol. It is elucidated that the CC bond is essentially double bond and the Si dimer bonds are not cleaved. The normal mode analyses well reproduce the experimental results, giving a strong support to our results." @default.
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- W2017748233 title "First-principles molecular dynamics study of acetylene adsorption on the Si(001) surface" @default.
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