Graph-Based Internal Coordinate Analysis for Transition State Characterisation

Goodfellow, A.S. orcid.org/0000-0002-0064-5007 and Nguyen, B.N. (Accepted: 2026) Graph-Based Internal Coordinate Analysis for Transition State Characterisation. Journal of Chemical Theory and Computation. ISSN: 1549-9618 (In Press)

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Item Type: Article
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This is an author produced version of an article accepted for publication in Journal of Chemical Theory and Computation, made available via the University of Leeds Research Outputs Policy under the terms of the Creative Commons Attribution License (CC-BY), which permits unrestricted use, distribution and reproduction in any medium, provided the original work is properly cited.
Dates:
  • Accepted: 13 February 2026
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds)
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EP/X021033/1
Date Deposited: 20 Feb 2026 13:02
Last Modified: 20 Feb 2026 13:02
Status: In Press
Publisher: American Chemical Society
Identification Number: 10.1021/acs.jctc.5c02073
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