Isotope Effect Calculations in the Supramolecular Age

Publications

. Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations. In SoftwareX, 2018.

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. Chapter 5: Kinetic Isotope Effects. Royal Society of Chemistry, 2017.

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. Solvent Effects on Isotope Effects: Methyl Cation as a Model System. In JPCB, 2014.

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