Macs in Chemistry

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IGMPlot release version 2.6.7 - June 2020

 

Independent Gradient Model Plot ( IGMPlot )

By using IGMPlot you can identify and quantify molecular interactions over a broad range: from non-covalent to covalent bonding, through metal coordination. This tool can be helpful for interpretation accessible to a wide community of chemists (organic, inorganic chemistry, including transition metal complexes and reaction mechanisms).

New Features:

  • IBSI index: an Intrinsic Bond Strength Index (does not belong to the conventional class of bond orders like Mulliken or Mayer, or the Delocalization Index)
  • BAF index: a Bond Asymmetry Factor
  • WFX file format is now supported
  • Development of a scoring function from promolecular electron density (possibility to probe noncovalent interfragment interactions or weak intramolecular interactions)
  • Quantifying intramolecular pipi stacking at the QM level of theory
  • Accelerated performances

The program is written in C++. IGMPlot has been installed and tested on several platforms: Linux, (computational center, laptop), MacOS, Windows10. It is a standalone program. Multi-core execution can be leveraged. In that case, the OpenMP programming interface must be installed prior to IGMPlot compilation for higher performances (optional).

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