Dear All
Does anyone know of a FREE molecular modelling software package that can be used for energy minimization and calculation of tensors/shifts/efgs, particularly for heteronuclei.
There are commercial packages available (e.g. Gaussian, Spartan) but I'm looking for something that is preferably free-to-all but at least free-to-academics (and students).
Thanks in advance,
Craig.
-----------------------------------------
Craig Grimmer
School of Chemistry
University of KwaZulu-Natal
Private Bag X01
Pietermaritzburg
3209
South Africa
Tel: +27-33-2605326/5984
Fax: +27-33-2605009
URL: http://chemweb.unp.ac.za/NMRlab/
------------------------------------------
Please find our Email Disclaimer here: http://www.ukzn.ac.za/disclaimer/
Received on Wed Oct 28 2009 - 23:00:01 MST