For a single atom, it is the volume of a sphere whose radius is the van der Waals radius of the atom: For a molecule, it is the volume enclosed by the van der Waals surface.

Atomic VDW (van der Waals) radii are used in sphere and ball display. They are also used to identify clashes and contacts and to calculate molecular surfaces and surface areas.

The atomic radius named after Johannes Diderik van der Waals is based on the calculation of an imaginary hard sphere, which is used as a model for atomic behavior.

Jan 8, 2020 · Van der Waals (vdW) radii (RvdW) are one of the cornerstones of contemporary chemistry. The visual perception and basic analysis of chemical structures and architectures …

Get van-der-Waals radius for a single atomic number Arguments Type IntentOptional Attributes Name integer, intent (in) :: num Atomic number Type Intent Optional Attributes Name integer, …

In this work, we introduce a new method to define the Dmax and, accordingly, to compute Dmax-based vdW radii (Rmax) for almost any intermolecular interaction directly from diverse …

Crystallographic vdW radii were derived to describe the distances of closest approach between polyatomic molecules, often of complex shapes, and are 8–20% shorter than the equilibrium radii.

Mar 23, 2023 · In the present study, we found that VDW radii, which were determined based on the 0.0015 au electron density contour through a wavefunction analysis on atoms, have …

VDW (van der Waals) radii are used to show atoms in the sphere representation and, when multiplied by the ball scale factor, the ball-and-stick representation. VDW radii are also used in …

Jan 30, 2019 · The Van der Waals radius is equal to one half the distance between two unbonded atoms when the electrostatic forces between them are balanced. In other words, it is half of …