Tonnam Balankura edited From_the_PMF_profile_we__.tex  almost 9 years ago

Commit id: 996e985c4b44bccdb6aad81e981762107c1e8951

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From the PMF profile, we calculate the rate constant of atom flux using the equation, which is derived from the framework transition-state theory \cite{H_nggi_1990}.  \begin{equation}  k^{TST}_{A \rightarrow B}=\frac{1}{2} B}=\frac{1}{2}(\frac{2}{\pi \beta m})^_{1/2})  \end{equation}