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Relative energies of the Ala8 peptide structures and products (kJ/mol) upon UVPD.
| Geometry | Reactant | a+1/x+1 radicals | a/x+2 (amide hydrogen transfer: imine a product) | a/x+2 (beta hydrogen transfer: alkene a product) |
|---|---|---|---|---|
| Linear (unstructured) | 0 (reference) | 412 | 152 | 90 |
| Hairpin | −2 | 488 | 192 | 57 |
| Helix | −17 | 394 | 157 | 64 |
