IGMPlot website

IGMPlot - A code using either promolecular or QM density with IGM-δg index for detecting and plotting interactions.


Citation

Please cite the following references when publishing results obtained with IGMPlot:

  1. IGM methodology bases using promolecular electron density
    Lefebvre C., Rubez G., Khartabil H., Boisson JC., Contreras-García J., Hénon E.
    "Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density"
    Phys Chem Chem Phys, 19(2017) 17928-17936
    http://dx.doi.org/10.1039/c7cp02110k.

  2. The quantum-mechanical theory of IGM
    C. Lefebvre, H. Khartabil, J.-C. Boisson, J. Contreras-García, J.-P. Piquemal, E. Hénon
    "Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations"
    Chem Phys Chem, 19(2018) 724-735
    http://dx.doi.org/10.1002/cphc.201701325.

  3. The atomic decomposition scheme of the interaction
    M. Ponce-Vargas, C. Lefebvre, J.-C. Boisson, E. Hénon
    "Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host–Guest Assemblies"
    J. Chem. Inf. Model., 60(2020) 268-278
    http://dx.doi.org/10.1021/acs.jcim.9b01016.

  4. The Intrinsic Bond Strength Index (IBSI)
    J. Klein, H. Khartabil, J.-C. Boisson, J. Contreras-García, J.-P. Piquemal, E. Hénon
    "New Way for Probing Bond Strength"
    J. Phys. Chem. A, 124(2020) 1850-1860
    http://dx.doi.org/10.1021/acs.jpca.9b09845.



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