From: Austin B. Yongye (ybausty_at_yahoo.com)
Date: Wed Dec 10 2008 - 16:08:17 CST
I would like to do some simulations with DMF as the solvent. Are there parameters out there for DMF as a solvent? I found this 2004 paper by Sen et al:
International Journal of Quantum Chemistry: 2004, 102(4), 368-378.
The "problem" is that the charges were derived using the RHF/6-31G basis set.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:48:47 CST