📄️ The Hirshfeld Surface
The Hirshfeld surface of a molecule in a crystal is constructed by partitioning space in the crystal into regions where the electron distribution of a sum of spherical atoms for the molecule (the promolecule) dominates the corresponding sum over the crystal (the procrystal). Following Hirshfeld, we define a molecular weight function $w(r)$:
📄️ Other Surfaces
CrystalExplorer offers the choice of a number of surfaces in addition to the Void Surface
📄️ Fingerprint Plots
The 2D-fingerprint of the Hirshfeld surface represents a novel method for summarising the complex
📄️ Void Surfaces
CrystalExplorer can visualize the "empty" regions of a crystal structure.
📄️ Surface Properties
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