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• W2135171711 abstract "We summarize the computational techniques used in modelling crystal structures. Special attention is paid to energy minimization methodologies and more sophisticated simulated annealing techniques. We describe recent applications to the refinement of the structures of novel microporous catalysts and to the generation of the structures of the polymorphs of TiO 2 ." @default.
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• W2135171711 date "1993-07-08" @default.
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• W2135171711 title "Simulating and predicting crystal structures" @default.
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• W2135171711 doi "https://doi.org/10.1098/rspa.1993.0092" @default.
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