Pure Appl. Chem., 2013, Vol. 85, No. 10, pp. 1949-1957
http://dx.doi.org/10.1351/PAC-CON-12-11-22
Published online 2013-07-10
Inherent dynamical preferences in carbocation rearrangements leading to terpene natural products
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.