## Abstract The ground state structure of retinal has been investigated. We found that DFT and CASSCF produce different results for the bond length alternation in a model system of retinal. Quantum mechanics/molecular mechanics calculations including the closest surrounding amino acids have been pe
Explorations on the multidimensional potential energy surface of a chiral stationary phase
โ Scribed by Kenny B. Lipkowitz; David A. Demeter; Jo. M. Landwer; Carol A. Parish; Thomas Darden
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 354 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
โฆ Synopsis
The multidimensional potential energy surface for a soluble analog of a chiral phase is computed with MM2 and MNDO. Minimum energy conformations are located. The minimum energy reaction pathway between these forms is located, and the templating ability of these phases is described.
๐ SIMILAR VOLUMES
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