OEGetBondiVdWRadiusΒΆ

double OEGetBondiVdWRadius(unsigned int elemno)

Returns the Van der Waals radius for a particular atomic number as tabulated by Bondi [Bondi-1964]. There are several experimental values for Van der Waals radii (see also OEGetPaulingVdWRadius) and many additional: values used in molecular mechanics forcefields (including united-atom VdW radii), so there is often no definitive notion of Van der Waals radius.