TS and reactant cartesian coordinates?

[johnwkeller54]

Regarding Epstein et al JCTC 2023:
(1) Where can I find your geometries?
(2) Did you use a PCM?
(3) OH- generally reacts within a water cluster. Were waters included in your study?
John Keller
University of Alaska Fairbanks

[espottesmith]

1. Geometries can be found here
2. We did not use an implicit solvent method
3. We included explicit water molecules in some cases, but not all; see the "Assisted" column in Table 2 of our manuscript.