Open access
Aug 2026
Mapping π-electron reorganization in the language of resonance: the differential bond delocalization function.
We present ΔBDFπ, a first principles method designed to help chemists visualize and understand how π electron systems respond to structural and environmental perturbations. Derived from the recently developed Bond Delocalization Function (BDFπ), ΔBDFπ is a three dimensional differential function that quantitatively map...
Paweł A. Wieczorkiewicz, Dariusz W. Szczepanik, H. Szatyłowicz
· Physical Chemistry, Chemical... · 0 citations