Dear Huub,
Thank you for reply.
I want to see the how the solvent affects on geomatry of energy
minimised of molecule,such as solvent water, methanol, gas phase,
acetonitrile..
That means I want my compounds minimised energy structure
in all this solvent and gas phase. Then I want to see the changes
in geomatry of energy minimied structures in all this solvent.
Along this it is also found that at some time the solvent may
enhance or decrease the Transition state energy of reactions.
That means I want to know the Transition state energy of
reaction in all this solvent ( water , acetonitrile, methanol,
Gas phase).
So I wondered how to add this effect in calculation..
I read the manual but I not find the the appropriate
directive to add this effect...
Hope so u get my point. I will be thankfull for your help.
I am looking forward for answer.
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