BiophysicsThe Journal of Chemical PhysicsPeer-reviewed
Transferability of ion force fields to OPC water: Maintaining single-ion and ion-pairing properties
Christian Wiebeler, Sebastian Falkner, Nadine Schwierz
The paper assesses the transferability of ion force fields to OPC water and introduces a new force field, MS/G-LB(OPC), that improves accuracy for single-ion and ion-pairing properties.
DOI 10.1063/5.0336927