%0 Generic %A Kolganov, Alexander %A Avadakkam, Sreenithya %A Pidko, Evgeny %D 2023 %T Data Underlying the Publication: Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains %U %R 10.4121/26af8ffb-1aeb-4d33-8005-b7d888c5a8f5.v1 %K Computational chemistry %K Plastic recycling %K Homogenous catalysis %K Ir pincer complexes %K Catalyst deactivation %X
This dataset consists of the density functional theory (DFT) calculated pathways of polyethylene dehydrogenation by the iridium pincer catalyst
%I 4TU.ResearchData