News
News

\(rate-barriers\)

convert reaction rates to barriers and vice versa
Current version: 2025.01 (shared with CC-BY-NC license). See also all python tools

Convert reaction rates to barriers / Convert barriers to reaction rates

Here you can specify:
  1. the reaction rate \(k_{2}\) and the temperature \(T_{1}\) at which it was measured
  2. the Gibbs free energy barrier \(\Delta G^{‡}\) and the temperature \(T_{1}\) at which the rate must be obtained
Based on the Eyring-Polanyi equation, this leads from one to the other.
Last update of document: April 18, 2025. Comments: M. Swart

1. Rate to barrier

Temperature \(T_{1}\) (K)
\(k_{2}(T_{1})\)
Transmission coefficient

Barrier \(\Delta G^{‡}\) (kcal·mol-1)
Barrier \(\Delta G^{‡}\) (kJ·mol-1)

2. Barrier to rate

Barrier \(\Delta G^{‡}\) (kcal·mol-1)
Temperature \(T_{1}\) (K)
Transmission coefficient

\(k_{2}(T_{1})\)