Computational methodology for chirality determination in the Soai reaction by crystals: γ-glycine
The autocatalytic Soai reaction gives abundant evidence of the enantioselective adsorption of organic compounds on a variety of crystals. Computational modelling can provide insight into mechanisms of enantioselectivity. Here, we use a combination of simulated annealing, forcefield, and quantum mech...
| Main Authors: | , , |
|---|---|
| Format: | Journal Article |
| Published: |
Springer-Verlag 2007
2012
|
| Online Access: | http://hdl.handle.net/20.500.11937/38423 |