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Re^3: need for pcgamess input in solvent phase

Alex Granovsky
gran@classic.chem.msu.su


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.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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