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Riemannian geometry and molecular similarity I: spectrum of the Laplacian

Lookup NU author(s): Dr Stuart HallORCiD, Dr Rachael Pirie, Dr Daniel ColeORCiD

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

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Author(s): Hall SJ, Pirie R, Cole DJ

Publication type: Article

Publication status: Published

Journal: Proceedings of the Royal Society A

Year: 2024

Volume: 480

Issue: 2284

Online publication date: 21/02/2024

Acceptance date: 17/01/2024

Date deposited: 22/02/2024

ISSN (print): 1364-5021

ISSN (electronic): 1471-2946

Publisher: The Royal Society Publishing

URL: https://doi.org/10.1098/rspa.2023.0343

DOI: 10.1098/rspa.2023.0343

Data Access Statement: The code and data used to produce the results are available from the GitHub repository: https://github.com/RPirie96/RGMolSA

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