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Chemical Theory and Modelling Group
PSL University - Chimie ParisTech
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Latest Publications
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...
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