Subject: How to calculate BSSE of a 3-molecule system?

From: Yubo Fan <[email-masked]>
Date: Mon, 17 May 1999 10:43:18 +0800

Dear CCLers,

I am dealing with some system containing 3 molecules in recent days. For
obtaining the intermolecular interaction between them, BSSE must be
considered. I know it is easy to get the BSSE of a 2-molecule system by
G94's massage command. The problem is how to calculate the BSSE of the
system involving over 2 molecules. For example, H2O trimer or Methane
trimer.

I am looking forward to receiving reply messages. Examples are
preferred. Thank you very much.

With best regards

Y. Fan

--
=============================================================
Yubo Fan                         Email: [email-masked]
Organic Synthesis Lab
The Department of Chemistry
Fudan University                 Phone: 8621-65648139
No. 220 Handan Road              Fax:   8621-65641740
Shanghai, 200433
P. R. China
=============================================================