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Chemistry Inorganic Computational Chemistry Group

DeethGroup Home Page

Welcome to the home page of the Inorganic Computational Chemistry Group (ICCG) under the direction of Emeritus Professor Rob Deeth.

Here's where you'll find information on our research programs and the activities of the ICCG, University of Warwick.

The ICCG is dedicated to the development and application of molecular modelling techniques to the study of the structures, properties and reactivities of systems containing Transition Metal centres.

Our flagship project is the development and application of Ligand Field Molecular Mechanics, which is implemented in DommiMOE, an extension of the Molecular Operating Environment from Chemical Computing Group.

Latest News

Sun 03 Jun '18
And we're back...

After three years in the wilderness, RJD has returned to sunny Warwickshire.

Fri 02 Sep '16
Emeritus status

You may have heard a rumour that RJD took early retirement in October 2015. Well, it's not a rumour - but this in no way means the research effort has diminished.

I realise this website has not been updated for some time but now that the University has introduced a new look, maybe it's time for the ICCG pages to get a face lift.

Watch this space...

Tue 30 Sep '14
image Ben's paper

Ben Houghton's first full paper appeared in September's special edition of the European Journal of Inorganic Chemistry. The edition celebrates "Modern Coordination Chemistry 100 Years After Werner" and is edited by Debbie Crans and Ebbe Nordlander who also ran the Zing Coordination Chemistry Meeting in Decemeber 2013.

Mon 11 Aug '14
image Gordon Research Conference, Vermont
Computational Chemistry, Accuracy and Sampling Across Quantum Chemistry and Molecular Modeling

After nearly 30 years in the business, RJD finally cracked the big invitation to speak at a Gordon Research Conference.

Tue 15 Apr '14
image Prussian Blue Analogues

Derek Middlemiss's first ICCG paper hit the Journal of Chemical Physics website this week. Our first product of the MOSAIC4 consortium looking as switchable materials.

In it, we explore the use of DFT to compute the dielectric response of a Prussion Blue Analogue as it proceeds through its thermal spin crossover.

DOI: 10.1063/1.4869864