Van der Waals crust behind simple parameter that can describe chemical bonds

Two spheres, wach within another transparent sphere and a circle. The outer circles are overlapping and the distance they overlap is marked as lower case i.

Source: © Santiago Alvarez/University of Barcelona

Penetration index provides a fresh perspective on two-atom interactions

Researchers in Spain have devised a new parameter for comparing and understanding bonds. It describes the degree of interpenetration of the van der Waals crusts of two atoms, which they call the penetration index. It can replace previous distance measurements with simple calculations about crust overlap, and be applied to bonds ranging from strongly covalent multiple bonds to weak London dispersion forces.