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Abstract The molecular structures and vibration modes of cyclopentasilane (Si 5 H 10 ) have been examined by employing ab initio and density-functional methods. Three different structures of Si 5 H… (More)
Adsorptions of hydrogen, oxygen and carbon monoxide molecules on surfaces of single wall carbon nanotubes (SWNTs) and graphene adhered by a Pt atom have been investigated by density functional theory… (More)