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Volumn 127, Issue 27, 2005, Pages 9684-9685

Missing metallofullerene La@C74

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; FULLERENE DERIVATIVE; LANTHANUM; METAL DERIVATIVE;

EID: 22144472948     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0524806     Document Type: Article
Times cited : (138)

References (24)
  • 1
    • 22144437492 scopus 로고    scopus 로고
    • Akasaka, T., Nagase, S., Eds.; Kluwer Academic Publisher: Dordrecht, The Netherlands
    • Endofullerenes: A New family of Carbon Clusters, Akasaka, T., Nagase, S., Eds.; Kluwer Academic Publisher: Dordrecht, The Netherlands, 2002: pp 1-297.
    • (2002) Endofullerenes: A New Family of Carbon Clusters , pp. 1-297
  • 13
    • 22144480411 scopus 로고    scopus 로고
    • note
    • 2) cage carbons.
  • 15
    • 0027663543 scopus 로고
    • Haddon, R. C. Science 1993, 261, 1545-1550.
    • (1993) Science , vol.261 , pp. 1545-1550
    • Haddon, R.C.1
  • 16
    • 4243553426 scopus 로고
    • All calculations were carried out using the Gaussian 03 program. Geometries were optimized with the hybrid density functional theory at the B3LYP level (Becke. A. D. Phys. Rev. A 1988, 38, 3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 19
    • 27344448074 scopus 로고
    • with the relativistic effective care potential (Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 52, 299-310)
    • (1985) J. Chem. Phys. , vol.52 , pp. 299-310
    • Hay, P.J.1    Wadt, W.R.2
  • 20
    • 0347170005 scopus 로고
    • and the (5s5p3d)/[4s4p3d] basis set for La, (5s5p)/[4s4p] basis set for Ca, and 6-31G(d) basis set (Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257-2261) for C, H, and Cl. For the calculations of Ip and Ea. the larger 6-31+G(d) basis set was used for C.
    • (1972) J. Chem. Phys. , vol.56 , pp. 2257-2261
    • Hehre, W.J.1    Ditchfield, R.2    Pople, J.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.