A fitting formula for the falloff curves of unimolecular reactions,II: Tunneling effects

By taking into account effects of tunneling on the shape of the falloff curves of unimolecular reaction rate constants based on Troe's weak collision integral, a fitting formula for these curves is developed and then examined for several tunneling‐affected reactions. It is demonstrated that, compared to the widely used Troe's formula, the present expression not only substantially enhances the accuracy in fitting for tunneling‐affected reactions, but it is also computationally more efficient in its evaluation. © 2010 Wiley Periodicals, Inc. Int J Chem Kinet 43: 31–42, 2011