Hylleraas Centre for Quantum Molecular Sciences
@hylleraas
Norwegian Centre of Excellence. We develop and apply methods to simulate complex molecular systems interacting with fields and radiation.
ID: 1250791770721484803
http://www.hylleraas.no 16-04-2020 14:23:07
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Just out an Organometallics on copper C-H activation by Julie Héron and David Balcells, in collaboration with Tilley Group. DFT revealed a complex mechanism involving ligand de(coordination) and ion pairing in an asymmetric bimetallic environment 👉 pubs.acs.org/doi/10.1021/ac…