Subject: W:Solvent parameter

From: "Jelena, , Tamuliene" <etamuliene|at|yahoo.com>
Date: Tue, 12 Apr 2005 05:09:10 -0400

Dear All,

We would like to obtain geometry structure of several organic compounds in the acetonitrile solvent applying GAMESS package. We must give the following numerical values of acetonitrile:
1. The radius in Angstrom
2. The dielectric constant 
3. The dielectric costant at infinite frequency 
4. The thermal expansion coefficient (1/K) 
5. Molar volume (ml/mol) of acetonitrile
6. The surface tension (dyne/cm)
7. The thermal coefficient of log(surface tension)
8.  The cavity microscopic coeficient 

It will be very kind of you to help us to find the above mentioned munerical values of acetonitrile.

Thank you in advance.

With respect,

Elena