Chemical Physics Letters, Vol.350, No.5-6, 399-404, 2001
Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials
Theoretical electronic structure techniques have become an indispensible and powerful means for predicting molecular properties and designing new materials. Based on a density functional approach and guided by geometric considerations we provide evidence for some specific inorganic fullerene-like cage molecules of ceramic and semiconductor materials which exhibit high energetic stability and point group symmetry as well as nearly perfect spherical shape.