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Energetics and stability of small SimCn clusters: AM1 and PM3 calculations

2000-07-01
Erkoç, Şakir
Turker, L
The energetics and the structural stabilities of small SimCn clusters with m + n = 2-5 have been investigated by AM1 and PM3 type semi-empirical molecular orbital methods within the RHF formalizm. It has been found that small silicon-carbide clusters prefer the linear structure.