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Volumn 865, Issue 1-3, 2008, Pages 8-13

Theoretical investigation of nitrogen disubstituted corannulenes

Author keywords

DFT; Heterobuckybowls; Heterofullerenes; Isomers stability; Substituted Corannulene

Indexed keywords


EID: 50549094456     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.06.007     Document Type: Article
Times cited : (26)

References (38)
  • 28
    • 50549083713 scopus 로고    scopus 로고
    • E.J. Bylaska, W.A. de Jong, K. Kowalski, T.P. Straatsma, M. Valiev, D. Wang, E. Aprà, T.L. Windus, S. Hirata, M.T. Hackler, Y. et al. "NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.0" (2006), Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA.
    • E.J. Bylaska, W.A. de Jong, K. Kowalski, T.P. Straatsma, M. Valiev, D. Wang, E. Aprà, T.L. Windus, S. Hirata, M.T. Hackler, Y. et al. "NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.0" (2006), Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA.
  • 34
  • 38
    • 50549096173 scopus 로고    scopus 로고
    • For these two isomers only the triplet state could be optimized.
    • For these two isomers only the triplet state could be optimized.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.