Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry (Q2810206)
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scientific article; zbMATH DE number 6588011
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry |
scientific article; zbMATH DE number 6588011 |
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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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