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Pure Appl. Chem., 2013, Vol. 85, No. 10, pp. 1949-1957

Published online 2013-07-10

Inherent dynamical preferences in carbocation rearrangements leading to terpene natural products

Ryan P. Pemberton, Young J. Hong and Dean J. Tantillo

Department of Chemistry, University of California—Davis, One Shields Avenue, Davis, CA 95616, USA

Abstract: An introduction to the application of quantum chemical dynamics calculations to mechanistic problems in the field of terpene biosynthesis is provided. A bare bones introduction to the fundamentals of chemical dynamics is followed by a brief account of previous applications to terpene-forming carbocation reactions, a discussion of questions in this field that dynamics calculations may help answer, and a description of current problems to which dynamics calculations are being applied.