Crystal Explorer software crack download electrostatic potentials mapped on Hirshfeld surfaces. Intermolecular interactions can be readily quantified using model energies built up from separate electrostatic, dispersion, polarization and exchange-repulsion terms, calibrated against dispersion-corrected density functional theory
The topology of intermolecular interactions in a molecular crystal can be revealed by representing the network of nearest neighbour energies by a framework of cylinders whose width is proportional to the strength of the interaction.
CrystalExplorer has a new major version release: CrystalExplorer 21.5
The biggest feature of this release is built-in support for using NWChem as a quantum chemistry backend.
Other highlights include:
Crystal Explorer software details: