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Coarse-Grained Models of Aqueous Solutions of Polyelectrolytes: Significance of Explicit Charges.
J Phys Chem B. 2020 Jan 9;124(1):288-301. doi: 10.1021/acs.jpcb.9b09725. Epub 2019 Dec 20.
J Phys Chem B. 2020.
PMID: 31808691
Chemical Reactions on Metal-supported Hexagonal Boron Nitride Investigated with Density Functional Theory.
Bacle P, Seitsonen AP, Iannuzzi M, Hutter J.
Bacle P, et al.
Chimia (Aarau). 2014 Sep;68(9):596-601. doi: 10.2533/chimia.2014.596.
Chimia (Aarau). 2014.
PMID: 25437777
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