<i>Ab initio</i>quantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory (Q3445903)
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scientific article; zbMATH DE number 5162272
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| English | <i>Ab initio</i>quantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory |
scientific article; zbMATH DE number 5162272 |
Statements
<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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0.7029009461402893
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0.689009964466095
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0.685894250869751
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0.679633378982544
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