Self-consistent continuum solvation (SCCS): the case of charged systems.
Dupont C, Andreussi O, Marzari N.
Dupont C, et al. Among authors: andreussi o.
J Chem Phys. 2013 Dec 7;139(21):214110. doi: 10.1063/1.4832475.
J Chem Phys. 2013.
PMID: 24320367
The recently developed self-consistent continuum solvation model (SCCS) [O. Andreussi, I. Dabo, and N. Marzari, J. Chem. Phys. 136, 064102 (2012)] is applied here to charged species in aqueous solutions. ...
The recently developed self-consistent continuum solvation model (SCCS) [O. Andreussi, I. Dabo, and N. Marzari, J. Chem. Phys. …