Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re^2: need for pcgamess input in solvent phase

Gomathi
tgomathi_goms@yahoo.co.in


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.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


[ Previous ] [ Next ] [ Index ]           Tue Jun 22 '10 5:55am
[ Reply ] [ Edit ] [ Delete ]           This message read 814 times