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Volumn 121, Issue 21, 2004, Pages 10447-10455

Theoretical study of the electronic structure of CnS(n=1-6) thiocumulenes

Author keywords

[No Author keywords available]

Indexed keywords

ASTROPHYSICS; CARBON INORGANIC COMPOUNDS; CORRELATION METHODS; FOURIER TRANSFORMS; FREQUENCIES; GROUND STATE; MICROWAVE SPECTROSCOPY; VIBRATION CONTROL;

EID: 10844259783     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1806414     Document Type: Article
Times cited : (16)

References (49)
  • 23
    • 0000097150 scopus 로고    scopus 로고
    • edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner Wiley, Chichester, UK
    • F. Weinhold, in Encyclopedia of Computational Chemistry, edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Wiley, Chichester, UK, 1998), Vol. 3, p. 1792.
    • (1998) Encyclopedia of Computational Chemistry , vol.3 , pp. 1792
    • Weinhold, F.1
  • 26
    • 10844284992 scopus 로고    scopus 로고
    • note
    • 6S) kcal/mol. These energy differences are computed using the optimized geometry of the electronic state of lower energy.
  • 48
    • 10844287516 scopus 로고    scopus 로고
    • note
    • nS compounds can be represented by alternating single bond-triple bond structures.
  • 49
    • 10844284163 scopus 로고    scopus 로고
    • note
    • Bond lengths taken as references were also computed at the B3LYP/6-311G** level.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.