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Re: need for pcgamess input in solvent phase

Jim Kress
jimkress_35@kressworks.com


Did you read the Users Manual?

http://classic.chem.msu.su/gran/gamess/manuals.html

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.

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


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