Title: Results files for inorganic solid-state PM6 calculations from Nick Day's PhD thesis
Authors: Day, Nicholas E
Keywords: MOPAC
PM6
solid-state
inorganic
Issue Date: 31-Jul-2008
Abstract: Results files for inorganic solid-state calculations using the PM6 method in MOPAC2007 in Nick Day's PhD thesis. Contains CIF, MOP, OUT and CML files for each calculation.
URI: http://www.dspace.cam.ac.uk/handle/1810/197581
Appears in Collections:Project documentation - Unilever Centre

Files in This Item:

File Description SizeFormat
inorganic-results.zip147.59 MBZIPView/Open
Additional resources for this item
retrieve citation metadata in EndNote format

This item has been accessed 669 times.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.