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Volumn 36, Issue 22, 1997, Pages 5031-5036

Dissociation Energies, Vibrational Frequencies, and 13C NMR Chemical Shifts of the 18-Electron Species [M(CO)6]n (M = Hf-Ir, Mo, Te, Ru, Cr, Mn, Fe). A Density Functional Study

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Indexed keywords


EID: 0001013897     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic970223z     Document Type: Article
Times cited : (97)

References (55)
  • 9
    • 1542612153 scopus 로고    scopus 로고
    • Unpublished results
    • (b) Aubke, F. Unpublished results,
    • Aubke, F.1
  • 18
    • 0004124784 scopus 로고
    • te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam, The Netherlands
    • (e) Ravenek, W. In Algorithms and Applications on Vector and Parallel Computers; te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam, The Netherlands, 1987.
    • (1987) Algorithms and Applications on Vector and Parallel Computers
    • Ravenek, W.1
  • 24
    • 0003990093 scopus 로고
    • Internal Report (in Dutch); Department of Theoretical Chemistry, Free University: Amsterdam, The Netherlands
    • Krijn, J.; Baerends, E. J. Fit Functions in the HFS Method; Internal Report (in Dutch); Department of Theoretical Chemistry, Free University: Amsterdam, The Netherlands, 1984.
    • (1984) Fit Functions in the HFS Method
    • Krijn, J.1    Baerends, E.J.2
  • 53
    • 85088619810 scopus 로고    scopus 로고
    • note
    • s on an orbital is explained in ref 14c.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.