Visualizing the evolution of charge density in fulvene bond torsion : a bond bundle case study
The chemical bond is a central concept of many sciences, but there is no unified consensus as to the physical representation of a bond, or how this representation relates to a bond’s properties. A variety of bonding models have been proposed, each different in its explanation and prediction of chemical properties. Quantum theory of atoms in molecules (QTAIM) aims to encompass a well-rounded approach applicable to many areas of molecular studies. The QTAIM bonding model uses the topology of the electron charge density (ρ(r)) and defines bonding interactions as one-dimensional ridges of (r)—known ...
(For more, see "View full record.")