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Volumn 126, Issue 45, 2004, Pages 14796-14803

The mechanism of aluminum-catalyzed Meerwein-Schmidt-Ponndorf-Verley reduction of carbonyls to alcohols

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; ALCOHOLS; ALUMINUM; CATALYSIS; COMPUTATIONAL METHODS; ELECTRON TRANSITIONS; KINETIC THEORY; MATHEMATICAL MODELS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION;

EID: 8844280804     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja047613m     Document Type: Article
Times cited : (138)

References (44)
  • 18
    • 8844266378 scopus 로고    scopus 로고
    • note
    • Elucidation of the experimentally observed enantioselectivity is beyond the scope of this article and will be reported elsewhere.
  • 22
    • 0037267025 scopus 로고    scopus 로고
    • It is well-known that DFT hybrid functionals (such as mPWlk) tend to overestimate the stability of high spin states (such as a triplet); thus, the difference between the singlet transition state and the biradical one should be even larger than what we calculated. For example, see: Poli, R.; Harvey, J. N. Chem. Soc. Rev. 2003, 32, 1-8.
    • (2003) Chem. Soc. Rev. , vol.32 , pp. 1-8
    • Poli, R.1    Harvey, J.N.2
  • 23
    • 8844272868 scopus 로고    scopus 로고
    • note
    • # is calculated based on ΔG = ΔH - TΔS for T = 298.15 K.
  • 38
    • 8844248831 scopus 로고    scopus 로고
    • Continental Oil Co. BE Patent 615566; 1962; 21 pp.
    • Continental Oil Co. BE Patent 615566; 1962; 21 pp.
  • 41
    • 0000766887 scopus 로고    scopus 로고
    • John von Neumann Institute for Computing: Julich, Germany
    • Dolg, M. Modern Methods and Algorithms of Quantum Chemistry; John von Neumann Institute for Computing: Julich, Germany, 2000; Vol. 1, pp 479-508.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , vol.1 , pp. 479-508
    • Dolg, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.