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Issue 6, 2014
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Pentalenene formation mechanisms redux

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Quantum chemical calculations are used to assess various means of lowering the barrier for the dyotropic rearrangement previously proposed to occur during the carbocation rearrangement process promoted by pentalenene synthase. Several means of lowering this barrier, including a stepwise pathway for dyotropic rearrangement, are uncovered.

Graphical abstract: Pentalenene formation mechanisms redux

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The article was received on 05 Oct 2013, accepted on 28 Nov 2013 and first published on 29 Nov 2013

Article type: Paper
DOI: 10.1039/C3OB42005A
Citation: Org. Biomol. Chem., 2014,12, 887-894
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    Pentalenene formation mechanisms redux

    M. W. Lodewyk, D. Willenbring and D. J. Tantillo, Org. Biomol. Chem., 2014, 12, 887
    DOI: 10.1039/C3OB42005A

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