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Analytical first derivatives of the RE-squared interaction potential (Q856975)

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Analytical first derivatives of the RE-squared interaction potential
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    Analytical first derivatives of the RE-squared interaction potential (English)
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    14 December 2006
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    Lennard--Jones (6--12) potential
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    coarse-grained model
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    biaxial ellipsoidal potential
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    analytical derivatives
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    rigid-body MD simulation
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