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Transcript of Dissecting the Hirshfeld Surface

Name: Transcript of Dissecting the Hirshfeld Surface
Creator: Stona de Almeida, Thaicia

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 16 Nov 2023Publisher:Cambridge University Press (CUP)

Authors: Stona de Almeida, Thaicia;

doi: 10.33774/coe-2023-7nqjm , 10.5281/zenodo.10112560 , 10.5281/zenodo.10112561

Transcript of Dissecting the Hirshfeld Surface

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Abstract

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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Ronin Institute
United States

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