Assigning (1)H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst

por Nobile, Anna Giorgia, Trummer, David, Berkson, Zachariah J., Wörle, Michael, Copéret, Christophe, Payard, Pierre-Adrien
Publicado 2023

Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs

por Trummer, David, Nobile, Anna Giorgia, Payard, Pierre-Adrien, Ashuiev, Anton, Kakiuchi, Yuya, Klose, Daniel, Jeschke, Gunnar, Copéret, Christophe
Publicado 2022