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Volumn 15, Issue 13, 1996, Pages 3011-3021

Density functional study of C-H and O-H bond activation by transition metal d0-oxo complexes: 1. Thermodynamic considerations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000358868     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9600203     Document Type: Article
Times cited : (49)

References (87)
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    • and references therein
    • (b) Lee, G. L.; Chen, T. J. Org. Chem. 1991, 56, 5341 and references therein.
    • (1991) J. Org. Chem. , vol.56 , pp. 5341
    • Lee, G.L.1    Chen, T.2
  • 31
    • 5344241487 scopus 로고
    • Trahanovsky, W. S., Ed., Academic Press: New York
    • (a) Lee, D. G. In Oxidation in Organic Chemistry; Trahanovsky, W. S., Ed., Academic Press: New York, 1973; Part B.
    • (1973) Oxidation in Organic Chemistry , Issue.PART B
    • Lee, D.G.1
  • 33
  • 66
    • 0003423228 scopus 로고
    • Metal-Ligand Interactions: from Atoms, to Clusters, to surfaces; Salahub, D. R., Russo, N., Eds.; Kluwer Academic: Dordrecht, The Netherlands
    • (b) Ziegler, T. In Metal-Ligand Interactions: from Atoms, to Clusters, to surfaces; Salahub, D. R., Russo, N., Eds.; NATO ASI Series C378; Kluwer Academic: Dordrecht, The Netherlands, 1992.
    • (1992) NATO ASI Series C378
    • Ziegler, T.1
  • 68
    • 5344230945 scopus 로고    scopus 로고
    • We have chosen the HF-ECP results of Cundari et al. for comparison, because they employed a better basis set than Russo et al. did
    • We have chosen the HF-ECP results of Cundari et al. for comparison, because they employed a better basis set than Russo et al. did.


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