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Volumn 107, Issue 15, 2009, Pages 1513-1519

Theoretical study of the Ru + CH3F reaction

Author keywords

C F activation; Potential energy curves; Ruthenium

Indexed keywords

C-F ACTIVATION; C-F BONDS; C-H BOND; CAS-SCF; EXCITED TRIPLET STATE; FIRST EXCITED STATE; FLUOROMETHANE; METAL ATOMS; METHYL FLUORIDE; OXIDATIVE ADDITIONS; POTENTIAL ENERGY CURVES; REACTION PATHS; THEORETICAL STUDY;

EID: 68849112814     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902950410     Document Type: Article
Times cited : (7)

References (26)
  • 2
    • 84906432727 scopus 로고    scopus 로고
    • edited by R.H. Crabtree and D.M.P. Mingos Elsevier, Amsterdam
    • R.N. Perutz and T. Braun, in Comprehensive Organometallic Chemistry III, edited by R.H. Crabtree and D.M.P. Mingos (Elsevier, Amsterdam, 2007), Vol. 1, p. 725.
    • (2007) Comprehensive Organometallic Chemistry III , vol.1 , pp. 725
    • Perutz, R.N.1    Braun, T.2
  • 23
    • 68849099752 scopus 로고    scopus 로고
    • Basis set was obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06- 76RLO 1830. Contact Karen Schuchardt for further information.
    • Basis set was obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06- 76RLO 1830. Contact Karen Schuchardt for further information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.