cff-version: 1.2.0
abstract: "<p>This dataset consists of the density functional theory (DFT) calculated pathways of polyethylene dehydrogenation by the iridium pincer catalyst</p>"
authors:
  - family-names: Kolganov
    given-names: Alexander
    orcid: "https://orcid.org/0000-0002-0262-8892"
  - family-names: Avadakkam
    given-names: Sreenithya 
    orcid: "https://orcid.org/0000-0001-8598-291X"
  - family-names: Pidko
    given-names: Evgeny
title: "Data Underlying the Publication: Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/26af8ffb-1aeb-4d33-8005-b7d888c5a8f5.v1
license: CC BY 4.0
date-released: 2023-09-29