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Volumn 334, Issue 1-3, 2007, Pages 29-35

A DFT study of the heterofullerenes Sc3N@C79B, Sc3N@C79N, and Sc3N@C78BN

Author keywords

666 B 665 N rule; Density functional theory; Electrostatic stabilization; Sc3N@C78BN; Sc3N@C79B; Sc3N@C79N; Sc3N@C80

Indexed keywords


EID: 34247597992     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.02.010     Document Type: Article
Times cited : (6)

References (52)
  • 46
    • 0038626673 scopus 로고    scopus 로고
    • In: Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery J., Vreven J.A.T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. (Eds). Gaussian 03 (2003), Gaussian, Inc., Pittsburgh, PA
    • (2003) Gaussian 03
    • Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., et, al.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.