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Volumn 635, Issue 1-2, 2001, Pages 100-109

Methane inversion on transition metal ions: A possible mechanism for stereochemical scrambling in metal-catalyzed alkane hydroxylations

Author keywords

Alkane hydroxylation; Methane activation; Molecular orbital theory; Stereochemical scrambling

Indexed keywords


EID: 0002032298     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-328X(01)00995-0     Document Type: Article
Times cited : (41)

References (76)
  • 6
    • 0041967827 scopus 로고    scopus 로고
    • 1g orbital in a square-planar structure, and therefore they prefer to be tetrahedral rather than square planar.
    • 1g orbital in a square-planar structure, and therefore they prefer to be tetrahedral rather than square planar.
  • 11
    • 0042969582 scopus 로고    scopus 로고
    • ij), termed quadratic force constant, are the second derivatives of the potential energy with respect to mass-weighted cartesian displacements, evaluated at the equilibrium nuclear configuration.
    • ij), termed quadratic force constant, are the second derivatives of the potential energy with respect to mass-weighted cartesian displacements, evaluated at the equilibrium nuclear configuration.
  • 50
    • 1542474070 scopus 로고    scopus 로고
    • Chemical Applications of Density-Functional Theory
    • in: B.B. Laird, R.B. Ross, T. Ziegler (Eds.), American Chemical Society, Washington, DC
    • J. Baker, M. Muir, J. Andzelm, A. Schemer, in: B.B. Laird, R.B. Ross, T. Ziegler (Eds.), Chemical Applications of Density-Functional Theory, ACS Symposium Series 629, American Chemical Society, Washington, DC, 1996.
    • (1996) ACS Symposium Series , vol.629
    • Baker, J.1    Muir, M.2    Andzelm, J.3    Schemer, A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.