CCL:G: assessment of Quantum tunnelling

First of all, the Wigner formula that you present here is not correct ( The good _expression_ should be 1+1/24(*h*|freq|/kT)^2). In addition, this formula is valid only in a special case (2*pi/h*|freq| >> 1/kT ). I submitted  recent work going in that way. I will forward you the work as soon as it is accepted for publication.
Hope this will help.



On 5 November 2011 19:58, Eldar Mamin Yeldar443^^mail.ru <owner-chemistryÌl.net> wrote:

Sent to CCL by: "Eldar  Mamin" [Yeldar443.:.mail.ru]
Deat CCL community

Can anyone help me to assess Quantum tunnelling effect
in my reaction - cycloaddition of ozone with double bond at room temperature

the problem is that my value is too high about 4% of rate constant
with is senceless, it is too high. I  use Wiegners formula =1+1/24(*h/kT)^2
with (abaut 600cm^-1) taken
> from imaginary mode of freq-job from GAMESS or GAUSSIAN. Is it correct?



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Jules.