Spiropyran to Merocyanine Conversion: Explicit versus Implicit Solvent

Apr 29, 2014 - Correction to “Spiropyran to Merocyanine Conversion: Explicit versus Implicit Solvent Modeling”. Andrzej Eilmes. J. Phys. Chem. A 2...
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Correction to “Spiropyran to Merocyanine Conversion: Explicit versus Implicit Solvent Modeling” Andrzej Eilmes J. Phys. Chem. A 2013, 117 (12), 2629−2635. DOI: 10.1021/jp3117209 In the original version of the paper wrong units were used in section 3.1 in the citation of the experimental data from ref 7. The next to last sentence of section 3.1 should read: This result is consistent with experimentally estimated ΔrH values for SP → MC isomerization in the D2O/MeOH mixture amounting to −3.0 and −1.2 kcal/mol for 1 and 2, respectively.7



ACKNOWLEDGMENTS Author expresses his gratitude to Dr. M. T. Buthelezi for bringing the problem to his attention.

Published: April 29, 2014 © 2014 American Chemical Society

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dx.doi.org/10.1021/jp5039199 | J. Phys. Chem. A 2014, 118, 3393−3393