The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/26af8ffb-1aeb-4d33-8005-b7d888c5a8f5

Alexander Kolganov; Avadakkam, Sreenithya ; Pidko, Evgeny (2023): Data Underlying the Publication: Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/26af8ffb-1aeb-4d33-8005-b7d888c5a8f5.v1

Dataset

• Organic Chemistry
• Theoretical and Computational Chemistry
• Inorganic Chemistry
• Chemical Sciences

Catalyst deactivation, Computational chemistry, Homogenous catalysis, Ir pincer complexes, Plastic recycling

CC BY 4.0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Alexander Kolganov , Sreenithya Avadakkam , Evgeny Pidko

This dataset consists of the density functional theory (DFT) calculated pathways of polyethylene dehydrogenation by the iridium pincer catalyst

• 2023-09-29 first online, published, posted

4TU.ResearchData

VASP (CONTCAR/POSCAR); .csv

Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains

TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering