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Volumn 63, Issue 19, 1998, Pages 6480-6483

Transition States for Alkane Oxidations by Dioxiranes

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EID: 0000845829     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9801519     Document Type: Article
Times cited : (68)

References (42)
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    • For references to the use of DFT for organic transition states, see: Honk, K. N.; Wiest, O. Top. Curr. Chem. 1996, 183, 1. Applications to reactions with diradical intermediates or diradical character: Houk, K. N.; Condroski, K. R.; Pryor, W. A. J. Am. Chem. Soc. 1996, 118, 13002; Goldstein, E.; Beno, B.; Houk, K. N. J. Am. Chem. Soc., 1996, 118, 6036.
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    • For references to the use of DFT for organic transition states, see: Honk, K. N.; Wiest, O. Top. Curr. Chem. 1996, 183, 1. Applications to reactions with diradical intermediates or diradical character: Houk, K. N.; Condroski, K. R.; Pryor, W. A. J. Am. Chem. Soc. 1996, 118, 13002; Goldstein, E.; Beno, B.; Houk, K. N. J. Am. Chem. Soc., 1996, 118, 6036.
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    • For references to the use of DFT for organic transition states, see: Honk, K. N.; Wiest, O. Top. Curr. Chem. 1996, 183, 1. Applications to reactions with diradical intermediates or diradical character: Houk, K. N.; Condroski, K. R.; Pryor, W. A. J. Am. Chem. Soc. 1996, 118, 13002; Goldstein, E.; Beno, B.; Houk, K. N. J. Am. Chem. Soc., 1996, 118, 6036.
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    • Submitted for publication
    • Shustov, G.; Rauk, A. Submitted for publication.
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    • Note Added in Proof. Latest values are a 18 kcal/mol activation barrier and 1.2 kcal/mol endothermicity for formation of dioxymethylene: Cremer, D.; Kraka, E.; Szalay, P. G. Chem. Phys. Lett. 1998, 292, 97.
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    • Cremer, D.1    Kraka, E.2    Szalay, P.G.3


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