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- W2068415757 abstract "A simple method is presented for determining rate constants in activated barrier crossing in a computer simulation. Instead of calculating the reactive flux, this method focuses on dynamics in the system with an absorbing barrier placed at the transition state. This method leads to a large reduction in CPU time for the low and high friction regimes." @default.
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- W2068415757 title "A rapid method for determining rate constants by molecular dynamics" @default.
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