New Publication in PCCP of the impact of relativistic effects on the Cu2O2 chemistry online

27/09/2017
 

A new publication in Physical Chemistry Chemical Physics is online. Herein, a theoretical study of copper dioxygen guanidine and bis(pyrazolyl)pyridinylmethane complexes and the impact of relativistic effects on the Peroxo/Oxo equilibrium is studied. The article Relativistic effects at the Cu2O2 core – a density functional theory study is available on the webpage of the publisher.