STRUCTURAL AND ELECTRONIC PROPERTIES OF(CnLi)+CLUSTER IONS

Efe Yazgan and Şakir Erkoç ()
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Efe Yazgan: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2005, vol. 16, issue 02, 271-280

Abstract: The structural and electronic properties of(CnLi)+cluster ions withn =1–6andn =20have been investigated by performing density functional theory calculations at B3LYP level. The vibrational frequencies of the clusters are also calculated.

Keywords: Carbon–lithium ions; clusters; density functional theory (search for similar items in EconPapers)
Date: 2005
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DOI: 10.1142/S012918310500708X

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