La Trobe Institute for Molecular Science provided funding for this project. Grants of computing resources from VPAC and NCI-NF are acknowledged. This work is also supported by an ARC DECRA fellowship (JLD, DE130100186)
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This article may be downloaded for personal use only. Permission to reproduce this article must be sought from Royal Society of Chemistry. A definitive version of this article was published in Dalton Transactions, 44(7): 3318-3325, 2015, and may be viewed at http://dx.doi.org/10.1039/C4DT03566F (Please note: access via this link may only be available with a subscription).