Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5381512 | Chemical Physics Letters | 2013 | 4 Pages |
Abstract
- Brâ can stabilize the zwitterionic form of arginine in an isolated cluster.
- Zwitterionic and canonical minima are very close in energy for Brâ·Arg.
- The canonical tautomer is lower in energy for the Clâ·Arg cluster.
- Conformation is crucial in determining canonical vs zwitterion relative energies.
- Comparison to experiment suggests that messenger tagged IR experiments are vital.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Martin Walker, Ananya Sen, Andrew J.A. Harvey, Caroline E.H. Dessent,