TY - GEN AU - Sutton,Catherine C R AU - Franks,George V AU - da Silva,Gabriel TI - First principles pKa calculations on carboxylic acids using the SMD solvation model: effect of thermodynamic cycle, model chemistry, and explicit solvent molecules SN - 1520-5207 PY - 2013///0301 N1 - Publication Type: Journal Article UR - https://doi.org/10.1021/jp305876r ER -