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Re: need for pcgamess input in solvent phase

Jim Kress

Did you read the Users Manual?

Did you look for Continuum solvation methods: SCRF and PCM?

You might want to start there.

Also, EFP (Effective Fragment Potential method) is yet another way of doing this.  It is also discussed in the Users Manual.


On Mon Jun 21 '10 7:08pm, Gomathi wrote
>Hi friends,

>I am the beginner in this field.
>I had studied some gas phase organic reactions using pcgamess.
>Now i wish to extend it in solvent phase. I need the input model to do this.
>Anyone can Please send me the same.

>Thank you,

>With regards

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