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CLF v. AOM: We win!

We were right all along. The MO version of ligand field theory is flawed.

Sun 05 Apr 2020, 15:59 | Tags: publications, paper

And we're back...

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

Sun 03 Jun 2018, 11:03

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...

Fri 02 Sep 2016, 14:54 | Tags: group members

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.

Coord Chem 100 Years after WernerBen

Tue 30 Sep 2014, 14:40 | Tags: publications, paper, Europe

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.


Mon 11 Aug 2014, 13:05 | Tags: external talks

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

Tue 15 Apr 2014, 16:28 | Tags: publications, paper

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