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Volumn 24, Issue 16, 2005, Pages 3882-3890

Metal-olefin interactions in M(CO) 5(cycloolefin) (M = Cr, Mo, W; cycloolefin = cyclopropene to cyclooctene): Strain relief and metal-olefin bond strength

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOOLEFINS; CYCLOPROPENE; PYRAMIDALIZATION; STRAIN ENERGIES;

EID: 23844555880     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om050331q     Document Type: Article
Times cited : (24)

References (46)
  • 17
    • 10044262541 scopus 로고    scopus 로고
    • Wavefunction Inc., Irvine, CA
    • Spartan'02 for Linux; Wavefunction Inc., Irvine, CA, 2002.
    • (2002) Spartan'02 for Linux
  • 18
    • 33645348141 scopus 로고    scopus 로고
    • Schrodinger Inc., Portland, OR
    • Jaguar 4.1; Schrodinger Inc., Portland, OR., 2002.
    • (2002) Jaguar 4.1
  • 25
    • 33645334851 scopus 로고    scopus 로고
    • note
    • For a complete description of the DFT methods benchmarked, see Table 1 in ref 21.
  • 28
    • 0003754095 scopus 로고
    • Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin
    • (b) For a description of correlation (local and nonlocal) and nonlocal exchange, see: Perdew, J. P. In Electronic Structure Theory of Solids; Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991.
    • (1991) Electronic Structure Theory of Solids
    • Perdew, J.P.1
  • 32
    • 84860989084 scopus 로고    scopus 로고
    • Manuscript in preparation
    • M-cyclopentene and M-cyclohexene in hexane solution bond enthalpies were determined using photoacoustic calorimetry: Cedeño, D. L.; Martinez, J.; Robinson, D.; Huftington, C.; Walczack, T. Manuscript in preparation.
    • Cedeño, D.L.1    Martinez, J.2    Robinson, D.3    Huftington, C.4    Walczack, T.5
  • 33
    • 84855185634 scopus 로고    scopus 로고
    • ADF2004.01; SCM, Vrije Universiteit, Amsterdam, The Netherlands
    • (a) ADF2004.01; SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com.
    • Theoretical Chemistry


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.