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Volumn 7, Issue 5, 2009, Pages 951-961

Three competitive transition states in the benzoin condensation compared to the clear rate-determining step in the Cannizzaro reaction

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ALDEHYDES; CHEMICAL REACTIONS; HYDROGEN; HYDROGEN BONDS;

EID: 60749088228     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b817849f     Document Type: Article
Times cited : (19)

References (46)
  • 26
    • 34547424960 scopus 로고    scopus 로고
    • For the thiamin-catalyzed benzoin condensation, three mechanisms were investigated by the semi-empirical AM1 calculation.
    • H. Takikawa K. Suzuki Org. Lett. 2007 9 2713
    • (2007) Org. Lett. , vol.9 , pp. 2713
    • Takikawa, H.1    Suzuki, K.2
  • 44
    • 0001746664 scopus 로고
    • The symmetry-broken UB3LYP method is widely used for reactions of closed-shell reactants involving singlet biradical intermediates. Spin contaminations in DFT methods is generally not considered to be a serious problem even when ≃ 1. See discussions in
    • A. Fuentes J. M. Marinas J. V. Sinisterra Tetrahedron Lett. 1987 28 2947
    • (1987) Tetrahedron Lett. , vol.28 , pp. 2947
    • Fuentes, A.1    Marinas, J.M.2    Sinisterra, J.V.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.