From owner-chemistry@ccl.net Sat Nov  5 15:01:01 2011
From: "Eldar Mamin Yeldar443^^mail.ru" <owner-chemistry!^!server.ccl.net>
To: CCL
Subject: CCL:G: assessment of Quantum tunnelling
Message-Id: <-45831-111105145844-16190-+m1ecpn6xlSAAH9JpGHqwA!^!server.ccl.net>
X-Original-From: "Eldar  Mamin" <Yeldar443\a/mail.ru>
Date: Sat, 5 Nov 2011 14:58:40 -0400


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?