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Alex Granovsky
gran@classic.chem.msu.su

yes there is.
You need to use transition state theory in its various formulations.
In most cases, as a first step you need to locate a transition state
for the reaction you are interested in.

Kind regards,
Alex Granovsky


On Mon Jul 21 '14 9:29pm, Rahul Singh wrote
-------------------------------------------
>Hello

>       Is there anyway to calculate Arrhenius constant of an equation computationally??
>    
>       Thanks for the help.

>-Rahul