Table 1 Key parameters of model.

From: Cavity frequency-dependent theory for vibrational polariton chemistry

ℏω0 (meV)

ℏωb (meV)

\({\mu }_{0}^{\prime}\) (a.u.)

\({\mu }_{{\rm{\ddagger }}}^{\prime}\) (a.u.)

170.6

162.05

0.225

−1.887

  1. The frequency of the reactant well ω0 and the top of the barrier ωb, as well as the derivative of dipole moment at the equilibrium geometry \({\mu }_{0}^{\prime}\) and on the dividing surface \({\mu }_{\ddagger }^{\prime}\).
Back to article page