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Volumn 105, Issue 25, 2001, Pages 6176-6181

Density functional study of metal-arene compounds: Mono(benzene)chromium, bis(benzene)chromium and their cations

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DECOMPOSITION; DISSOCIATION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

EID: 0035963826     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0034271     Document Type: Article
Times cited : (30)

References (73)
  • 29
    • 84942798215 scopus 로고
    • Wilkinson, G., Deputy Ed.; Stone, F. G. A., Executive Ed. E. W. Abel, Pergamon Press: Oxford
    • Davis, R.; Kane-Maguire, L. A. P. Comprehensive Organometallic Chemistry; Wilkinson, G., Deputy Ed.; Stone, F. G. A., Executive Ed. E. W. Abel, Pergamon Press: Oxford, 1982; Vol. 3, pp 953-1077.
    • (1982) Comprehensive Organometallic Chemistry , vol.3 , pp. 953-1077
    • Davis, R.1    Kane-Maguire, L.A.P.2
  • 34
    • 33751151063 scopus 로고
    • Ph D. Thesis, University of Montréal
    • St-Amant, A. Ph D. Thesis, University of Montréal, 1991.
    • (1991)
    • St-Amant, A.1
  • 43
    • 0011576173 scopus 로고    scopus 로고
    • note
    • 2 The largest deviation found of the Cr-ring does not exceed 0.020 Å. In addition, no significant changes, neither in the Mulliken population analysis nor for the binding energies, have been noticed. These clearly demonstrates a good correlation between the full optimization results with those obtained with only optimizing the Cr-ring distances.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.