Journal
PURE AND APPLIED CHEMISTRY
Volume 85, Issue 10, Pages 1949-1957Publisher
WALTER DE GRUYTER GMBH
DOI: 10.1351/PAC-CON-12-11-22
Keywords
carbocations; computational chemistry; dynamics; mechanism; terpene
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Funding
- U.S. National Science Foundation [CHE-0449845, CHE-0957416, CHE-030089]
- Royal Society of Chemistry's Natural Product Reports lectureship
- 21st International Conference on Physical Organic Chemistry organizing committee
- Direct For Mathematical & Physical Scien [0957416] Funding Source: National Science Foundation
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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.
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