Published November 11, 2023
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Transcript of Dissecting the Hirshfeld Surface
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Dissecting the Hirshfeld Surface, Ronin Institute Lightning Talks, October 2023: The Hirshfeld surface was introduced by Spackman and Byrom in 1997, based on the Hirshfeld partitioning scheme for electronic contribution in molecular crystals. The Hirshfeld surface analysis and its fingerprint have become since then popular tools for visualization of intermolecular interactions and crystal packing. In this talk, I would like to go over some aspects of the Hirshfeld surface protocol and raise some questions about the method.
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References
- Stona de Almeida, Thaicia. Structure-Bonding Relationships in Perovskites: Statistics of Hirshfeld Surfaces. State University of New York at Buffalo, ProQuest Dissertations Publishing, 2021. 28721606.