Conformational Dynamics of 9,9-Dimethyl-1,5-Dihetero-Spiro [5.5] Undecanes by Molecular Mechanics Calculations: A Three-Dimensional Topological Approach
✍ Scribed by P. Iratçabal; D. Liotard
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 969 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
The dynamic behavior of 9,9-dimethyl-l,5-dihetero-spiro [5.5] undecanes is investigated by molecular mechanics calculations. A topological approach is taken which leads to a model consistent with the available NMR data. A three-dimensional representation of the conformational potential energy surface is given. *The historically first-defined mathematical term "critical point of index i''7e will be used in this study instead of "i -dimensional partial maximum",3g~4d or less precise terms like "stationary point," "super saddle point," etc. The index of a critical point is defined in the computational details section.