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Re^4: need for pcgamess input in solvent phase

Gomathi
tgomathi_goms@yahoo.co.in


Dear Alex Granovsky,

Thank you so much.
i found it. now i am trying this in my reaction.

Thank you,

Best Regards,
Gomathi

On Tue Jun 22 '10 8:38pm, Alex Granovsky wrote
----------------------------------------------
>Dear Gomathi,

>the exam30.inp and exam31.inp that can be found in the
>Firefly distribution archive is exactly what you need.

>Regards,
>Alex Granovsky

>On Tue Jun 22 '10 5:55am, Gomathi wrote
>---------------------------------------
>>Hi Jim Kress
>>Thank you
>>
>>
>>On Mon Jun 21 '10 7:41pm, Jim Kress wrote
>>-----------------------------------------
>>>Did you read the Users Manual?

>>>http://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://classic.chem.msu.su/gran/gamess/manuals.htmlhttp://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.

>>>Read
>>>Learn
>>>Live
>>>
>>>
>>>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
>>>>Gomathi


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