Subject: gw98:scff=pcm: how to specify a solvent

From: "xuan xiaopeng" <[email-masked]>
Date: Sat, 07 Dec 2002 10:52:08 +0800

Hello everybody.

I want to use the PCM solvent model to calculate the structure of THF in 
N,N-dim
ethylformamide (DMF). IN gw98 manual, I should input the dielectric 
constant and 
solvent radius. However, there are different values of DMF radius in 
literatures,
 which one is best in this calculation? And how to sepcify a solvent not 
list in 
G98 when input?

Thank you for your information.

Xpxuan

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