Subject: CCL: VDW parameters

From: Garcia Edgardo <[email-masked]>
Date: Fri, 2 Dec 1994 14:48:26 -0700 (MST)

Dear netters,

Can anybody send me some comments (or point some references) on: 

1. Which are "good" Lenard-Jones (12-6) parameters
   for carbons (C_3,C_2,C_1) and explicit hydrogens in alkanes ?

2. How can VDW parameters be obtained from ab initio
   calculations ? 

Thanks in advance.

Edgardo Garcia
Cristol Chem & Biochem
Univ. of Colorado at Boulder
Boulder CO USA