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Torsion angle dynamics in three bond chainsa)

机译:Torsion angle dynamics in three bond chainsa)

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The correlation times for torsion angle fluctuations of three bond molecules in a liquid are investigated as a function of the barrier hindering internal rotation. The algorithm for the correlation time is general and can be applied for any torsional potential and bond angle. Correlation times obtained from this analysis are in basic accord with the Kramers theory.

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