VAN-DER-WAALS SURFACE-AREAS AND VOLUMES OF FULLERENES

We present calculations of van der Waals (vdW) surface area (S) and vo lume (V) for a variety of carbon fullerence molecules ranging from C-2 0 to C-240. Also reported are calculations of the inner vdW cavity vol ume and of the nuclear framework surface area and volume (S-n and V-n) . The vdW radius r of a carbon atom is not uniquely defined. so our S and V values are generated for r(min) = 1.47 Angstrom and r(max) = 1.7 6 Angstrom. Calculation of S and V at intermediate r values indicates that simple linear interpolation between the (r(min), r(max)) limits i s accurate to within 1%. We also find that Sn can be calculated to wit hin 1% of the actual value for C-60 and larger fullerenes by assuming all bonds have the C-C bond length of graphite (1.415 Angstrom).