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Volumn 133, Issue 8, 2011, Pages 2382-2385

Sc2C2@C80 rather than Sc 2@C82: Templated formation of unexpected C 2v(5)-C80 and temperature-dependent dynamic motion of internal Sc2C2 cluster

Author keywords

[No Author keywords available]

Indexed keywords

CARBENES; CARBIDE CLUSTERS; DFT CALCULATION; DYNAMIC MOTIONS; METALLOFULLERENES; MIRROR PLANE; NMR SPECTRUM; TEMPERATURE DEPENDENT; TEMPERATURE INCREASE; TEMPLATED;

EID: 79952262285     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1107723     Document Type: Article
Times cited : (115)

References (34)
  • 24
    • 70450206724 scopus 로고    scopus 로고
    • Revision A.02; Gaussian, Inc.: Wallingford CT
    • Geometry optimization was carried out with hybrid density functional theory at the B3LYP level using the Gaussian09 program. The effective core potential (ECP) and (5s5p5d)/[4s4p3d] basis set were used for Sc. The split-valence d-polarized 6-31G(d) basis set was used for C. For the Gaussian09 program, see: Frisch, M. J.; Gaussian 09, Revision A.02; Gaussian, Inc.: Wallingford CT, 2009. For B3LYP, see
    • (2009) Gaussian 09
    • Frisch, M.J.1
  • 28


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.