JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.593, ss.149-153, 2002 (SCI İndekslerine Giren Dergi)
Substitutional doping of B, Al and N atoms in C-60 skeleton are investigated by using AMI (UHF) type semiempirical quantum chemical calculations. Energetically they are all stable but highly endothermic structures. However, the size of Al atom may be a considerable drawback. (C) 2002 Elsevier Science B.V. All rights reserved.