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Solvent-Aware Interfaces in Continuum Solvation.
Andreussi O, Hörmann NG, Nattino F, Fisicaro G, Goedecker S, Marzari N. Andreussi O, et al. J Chem Theory Comput. 2019 Mar 12;15(3):1996-2009. doi: 10.1021/acs.jctc.8b01174. Epub 2019 Feb 13. J Chem Theory Comput. 2019. PMID: 30682250
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. …
30 results