<i>Ab initio</i>quantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory (Q3445903)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | <i>Ab initio</i>quantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory |
scientific article |
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<i>Ab initio</i>quantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory (English)
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7 June 2007
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molecular dynamics
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water
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ab initio
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QM/MM
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