IGMPlot website

Citation

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

1. The program IGMPlot
   C. Lefebvre, J. Klein, H. Khartabil, J.-C. Boisson, E. Hénon
   "IGMPlot: A program to identify, characterize, and quantify molecular interactions"
   J. Comp. Chem., 44(2023) 1750-1766 https://doi.org/10.1002/jcc.27123
   
   
2. The original IGM approach
   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.
   
   
3. The extension of IGM to QM-derived electron density
   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.
   
   
4. 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.
   
   
5. 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.
   
   
6. The Atomic Degree of Interaction (DoI)
   C. Lefebvre, H. Khartabil, and E. Hénon
   "New insight into atomic-level interpretation of interactions in molecules and reacting systems"
   PCCP, 25 (2023) 11398-11409
   https://doi.org/10.1039/D2CP02839E
   
   
   
7. The Pair Density Asymmetry (PDA)
   C. Lefebvre, J. Klein, H. Khartabil, J.-C. Boisson, E. Hénon
   "IGMPlot: A program to identify, characterize, and quantify molecular interactions"
   J. Comp. Chem., (2023)
   https://doi.org/10.1002/jcc.27123
   
   
8. The descriptor qg
   C. Lefebvre, J. Klein, H. Khartabil, J.-C. Boisson, E. Hénon
   "IGMPlot: A program to identify, characterize, and quantify molecular interactions"
   J. Comp. Chem., (2023)
   https://doi.org/10.1002/jcc.27123
   
   

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