WFRF:(Wojcik M.)
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Water exchange around Li+ and Na+ in LiCl(aq) and NaCl(aq) from MD simulations
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- Hermansson, K (author)
- Uppsala universitet
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- Wojcik, M (author)
- Uppsala universitet
- (creator_code:org_t)
- AMER CHEMICAL SOC, 1998
- 1998
- English.
- In: JOURNAL OF PHYSICAL CHEMISTRY B. - : AMER CHEMICAL SOC. - 1089-5647. ; 102:31, s. 6089-6097
- Journal article (other academic/artistic)
Abstract
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- The solvent exchange mechanisms around alkali cations in dilute aqueous solution have been investigated from cation-oxygen distance vs time curves, molecular animations, activation volumes, and lifetime statistics. Constant pressure (0 atm)-constant tempe
Keyword
- MOLECULAR-DYNAMICS SIMULATION; HYDRATION SHELL; TRANSITION PERIOD; METAL-CATIONS; ALKALI-METAL; IONS; MOBILITY; 25-DEGREES-C; TEMPERATURE; DIVALENT
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- art (subject category)
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