Simulation study of Al3+ coordination in NaF-AlF3 mixtures: development of interaction potentials
The generation of suitable interaction potentials with which to study the coordination chemistry of Al3+ ions in Na(x)AlF(3+x) mixtures by computer simulation is described. The potentials reflect an 'extended ionic' model of the interactions in this system, with formal ionic charges and ma...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1999
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