Donwload Crystal Explorer 21.5 x64

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:

  • Viewing down arbitrary crystal directions, rather than just the crystallographic a, b and c axis
  • Configuration of number of decimal places in the interaction energies window
  • Intermolecular interactions
  • Polymorphism
  • Effects of pressure and temperature on crystal structures
  • Single-crystal to Single-crystal reactions
  • Analyzing crystal voids
  • Structure-property relationships

Crystal Explorer software details:

  • Operating system: Windows x64
  • File Size: 22 MB
  • Activation with: license
  • License type: single user
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