Publications

Empirical conversion of pKA values from water to other solvents: application to acetonitrile, dimethyl sulfoxide and methanol
, 2017
Rossini - Bochevarov - Knapp

Proton solvation in protic and aprotic solvents
J. Comp. Chem. 37 1082-1091., 2016
Rossini - Knapp

Computing pKA values in different solvents by electrostatic transform
J. Chem. Theory Comput. 12 3360-3369, 2016
Rossini - Netz - Knapp

Merging structural information from X-ray crystallography, quantum chemistry and EXAFS spectra: The oxygen evolving complex in PSII
J. Phys. Chem. B 120 10899- 10922, 2016
Chernev - Zaharieva - Rossini - Galstyan - Dau - Knapp