Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry (Q2810206)

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Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry
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    Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry (English)
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    1 June 2016
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    crystal structure prediction
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    quantum mechanics/molecular mechanics
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    density functional theory
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    blind test
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