Atıf İçin Kopyala
Turker L.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.593, ss.149-153, 2002 (SCI-Expanded)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
593
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Basım Tarihi:
2002
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Doi Numarası:
10.1016/s0166-1280(02)00313-5
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Dergi Adı:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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Derginin Tarandığı İndeksler:
Science Citation Index Expanded (SCI-EXPANDED), Scopus
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Sayfa Sayıları:
ss.149-153
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Anahtar Kelimeler:
substitutional doping, fullerenes, C-60, BC59, AIC(59), NC59, PHASE-TRANSITIONS, FULLERENE C-60
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Orta Doğu Teknik Üniversitesi Adresli:
Hayır
Özet
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.