Abstract
We believe that the calculations summarised in this chapter show that a considerable amount of information emerges from the new approach which we have developed for the treatment of silicates. The more extended calculations are at a preliminary stage, but the initial studies are encouraging and the comparisons that we have made suggest that we are able to calculate repulsion energies using a parameter scheme that is transferable between different minerals reasonably. Our work on these problems continues.
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Jenkins, H.D.B. (1982). Aspects of the chemistry of phyllosilicates and intercalation in vermiculites. In: Catlow, C.R.A., Mackrodt, W.C. (eds) Computer Simulation of Solids. Lecture Notes in Physics, vol 166. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0017943
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DOI: https://doi.org/10.1007/BFb0017943
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