4.66 OEGetPaulingVdWRadius

double OEGetPaulingVdWRadius(unsigned int elemno)

Return the Van der Waals radius for a particular atomic number as tabulated in Linus Pauling, ``The Nature of the Chemical Bond'', 3rd Edition, 1960. There are several experimental values for Van der Waals radii (see also OEGetBondiVdWRadii) 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.