Physical Chemistry Chemical Physics· 2017Q2
Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density
- 1,799citations
- Q2SCImago
- 2017year
Short summary
A new method derives a unique signature from the reduced density gradient (RDG) versus electron density (ED) plot to specifically identify and isolate intermolecular interaction regions.
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Physical and Theoretical ChemistryChemistry