1 Department of Theoretical Chemistry, Jagiellonian University Faculty of Chemistry, Gronostajowa 2, 30-387 Krakow, Poland 2 Institute of Computational Chemistry and Catalysis, University of Girona C/ Maria Aurèlia Capmany, 69, 17003 Girona, Catalonia, Spain
The Electron Density of Delocalized Bonds (EDDB) enables one to visualize and quantify chemical resonance, multicenter bonding and aromaticity in a wide range of chemical species. It relies on the following decomposition scheme:
The RunEDDB program is an R-based implementation of the EDDB method, and its current version (19.02b) works with Gaussian formatted checkpoint files for closed- and open-shell systems at the HF/DFT theory level.
Global resonance effects in DNA fragment AATTCGTATAAAAACTAGAC visualized by EDDBg(r):