{
  "abstract": "The transition state barrier is a foundational concept in chemical kinetics, yet its physical origin is seldom investigated. In this study we analyze the barrier to hydrogen atom transfer in collinear H$_2$+H$^{\\bullet}$ on its Born$-$Oppenheimer surface. We extend upon the energy component analysis of chemical bonds to develop an electronic kinetic energy-based interpretation of the transition state barrier. This approach reveals that Pauli exclusion is necessary for the existence of the energy barrier to H$_2$+H$^{\\bullet}$ atom transfer, which is consistent with a complementary analysis using absolutely-localized molecular orbitals.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.28711",
  "author_total": 2,
  "authors": [
    {
      "name": "Shehan H. Fernando"
    },
    {
      "name": "Alistair J. Sterling"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3smvwt5h5dfpw.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.28711",
  "fulltext_url": null,
  "id": "3smvwt5h5dfpw",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.28711",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7214360040",
  "pdf_url": "https://arxiv.org/pdf/2609.28711",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-23",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/3smvwt5h5dfpw.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:24:11Z",
      "native_id": "2609.28711",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.28711"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    }
  ],
  "title": "Pauli exclusion as a necessary condition for the existence of the H$_2$ + H$^{\\bullet}$ atom transfer barrier",
  "title_text": "Pauli exclusion as a necessary condition for the existence of the H_2 + H^• atom transfer barrier",
  "type": "preprint",
  "updated_at": "2026-10-30T12:24:11Z",
  "url": "https://research.draconitic.com/paper/3smvwt5h5dfpw",
  "venue": "arXiv",
  "versions": []
}