Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation
In recent years atomistic simulations have become increasingly important in providing molecular insight to complement experiments. Even for the seemingly simple case of ion-pair formation a detailed atomistic picture of the structure and relative stability of the contact, solvent-shared and solvent-...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
2015
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| Online Access: | http://purl.org/au-research/grants/arc/DP0986999 http://hdl.handle.net/20.500.11937/28929 |