Digitale Medien
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
96 (1992), S. 4046-4047
ISSN:
1089-7690
Quelle:
AIP Digital Archive
Thema:
Physik
,
Chemie und Pharmazie
Notizen:
The consequences of the subtle balance of intermolecular forces for like charge interionic correlations in solution are considered. The potential of mean force (PMF) for Cl−–Cl− and Na+–Na+ ion pairs using simple point charge (SPC and SPC/E) water models are examined in detail, and it is demonstrated that the results depend qualitatively on the details of the model. Features in the ion–ion cavity potential are shown to be responsible for much of the observed sensitivity with respect to parameters.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1063/1.461859
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