Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain
the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in
Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles
and JavaScript.
Free energy profile for the activation of benzoic acid with (solid lines) and without (dashed lines) TMG computed with B3LYP-D3/6-311 + G(d,p) scrf = (smd, solvent = ethyl-ethanoate)65,66. HAT hydrogen atom transfer, PT proton transfer.
