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Volumn 131, Issue 25, 2009, Pages 9000-9006

Exploring the reactivity of ru-based metathesis catalysts with a π-acid ligand trans to the Ru-ylidene bond

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; ACID GROUPS; ACIDIC GROUPS; AROMATIC RINGS; CO MOLECULE; CYCLOHEPTATRIENE; DFT CALCULATION; METATHESIS CATALYSTS; N-HETEROCYCLIC CARBENE LIGANDS; OLEFIN METATHESIS; RING EXPANSION;

EID: 67649631307     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja902552m     Document Type: Article
Times cited : (67)

References (93)
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    • references therein.
    • (k) Diver, S. T. Coord. Chem. Rev. 2007, 251, 671-701, references therein.
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    • Diver, S.T.1
  • 31
    • 67649628668 scopus 로고    scopus 로고
    • After this manuscript was submitted for publication, an extended experimental work (ref 8) has been published by Diver, Keister, and co-workers.
    • After this manuscript was submitted for publication, an extended experimental work (ref 8) has been published by Diver, Keister, and co-workers.
  • 45
    • 0000323669 scopus 로고    scopus 로고
    • Ab initio molecular dynamics: Theory and Implementation, Modern Methods and Algorithms of Quantum Chemistry; Grotendorst, J., Ed.; John von Neumann Institute for Computing: Jülich, Germany
    • (c) Marx, D.; Hutter, J. In Ab initio molecular dynamics: Theory and Implementation, Modern Methods and Algorithms of Quantum Chemistry; Grotendorst, J., Ed.; John von Neumann Institute for Computing: Jülich, Germany, 2000; NIC Series, Vol.1, pp 301-449.
    • (2000) NIC Series , vol.1 , pp. 301-449
    • Marx, D.1    Hutter, J.2
  • 47
    • 4243553426 scopus 로고
    • (a) Becke, A. Phys. Rev. A 1988, 38, 3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.1
  • 60
    • 33947147025 scopus 로고    scopus 로고
    • High Performance Computing in Chemistry; Grotendorst, J., Ed.; Research Centre Jülich: Jülich, Germany
    • Krack, M.; Parrinello M. In High Performance Computing in Chemistry; Grotendorst, J., Ed.; Research Centre Jülich: Jülich, Germany, 2004; NIC series, Vol.25, pp 29-51.
    • (2004) NIC Series , vol.25 , pp. 29-51
    • Krack, M.1    Parrinello, M.2
  • 68
  • 87
    • 67649580703 scopus 로고    scopus 로고
    • note
    • 2 where CV means calculated value, EV experimental value (X-ray data), and N is the number of distances or angles taken into account (distances and angles used are given in Table S2 of the Supporting Information).
  • 93
    • 67649619760 scopus 로고    scopus 로고
    • note
    • This point is also discussed in a paper (ref 8) published after this manuscript was submitted for publication.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.