Theoretical calculation of carbon cluste
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Esther Agacino Valdes; Pablo De La Mora; Miguel Castro; Jaime Keller
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Article
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1997
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John Wiley and Sons
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English
โ 289 KB
Structural parameters and energy have been calculated for C and C 1-3 9 clusters using density functional theory through the deMon program. The C clusters 1-3 were fully optimized using deMon; different basis sets were tested in order to choose the suitable one to be used in the C clusters. In the c