The 'polymeric' structure of BeCl2 from an ionic simulation model
A polarizable ionic potential for BeCl2 is obtained from potentials developed previously to represent other group IIa chlorides, simply by scaling the cation radii. The BeCl2 potential reproduces the known structure of the isolated molecule and crystal and is used in simulations of the melt and molt...
| Main Authors: | , |
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| 格式: | Journal article |
| 出版: |
1997
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