From owner-chemistry@ccl.net Wed Aug 29 08:52:00 2012
From: "Can D rtbudak doech%%cup.uni-muenchen.de" <owner-chemistry(-)server.ccl.net>
To: CCL
Subject: CCL: Articles about simulating short contacts
Message-Id: <-47497-120829074638-9759-Bl9ALGYG3m+t8Zz/bUm/ng(-)server.ccl.net>
X-Original-From: "Can  D  rtbudak" <doech%cup.uni-muenchen.de>
Date: Wed, 29 Aug 2012 07:46:36 -0400


Sent to CCL by: "Can  D  rtbudak" [doech^cup.uni-muenchen.de]
Hi at all on the list,

does someone know literature about using some small molecules in addition to the one that should be calculated to simulate cationic/anionic interactions.

For example instead of calculating frequencies of H3O+ in H3O+SbF6- one uses H3O+(HF). This works well for me to get good frequency calculations. But it's hard to find articles about it.