April - 2018

Conduction Mechanisms in Oxide-Carbonate Electrolytes for SOFC: Highlighting the Role of the Interfa

The Journal of Physical Chemistry C 2018 DOI: 10.1021/acs.jpcc.8b02174 A comprehensive density functional theory investigation of...

Taming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalat

ACS Catalysis 2018 DOI: 10.1021/acscatal.8b00933 The mechanism of boron-to-nickel transmetalation, the key step of the nickel-catalyzed...

Chemical Theory and Modelling Group