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. 2018 May 30;122(24):6423–6430. doi: 10.1021/acs.jpcb.8b03528

Scheme 4. Computed Free-Energy Profiles for the Optimized Lowest Energy Conformers,

Scheme 4

(a) SP and (b) NSP in the ring-closed spiropyran and ring-open merocyanine forms and the barriers to their interconversiona.

All energy differences given in kcal/mol.