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What is CrystalExplorer?

CrystalExplorer is a standard tool for investigating intermolecular interactions and packing in crystalline materials using Hirshfeld surface analysis.

CrystalExplorer also includes powerful tools to generate surfaces based on ab initio quantum mechanical property densities.

By mapping these properties and other distance- and curvature-related metrics on Hirshfeld surfaces, CrystalExplorer provides unique insights into the in-crystal environment.

CrystalExplorer can also readily display and quantify voids in crystal structures.

Most recently, CrystalExplorer implements the accurate and efficient calculation of intermolecular interaction energies and energy frameworks.