Theoretical Characters of MgX (X= Te, Se, S and O) Clusters

S Xu, C Wang, Y Cui - Journal of Nonlinear Optical Physics & …, 2010 - World Scientific
At DFT/B3LYP/LANL2DZ theoretical level, a series of MgX clusters with Mg3X3 hexagon,
Mg4X4-t tetrahedron and Mg4X4-o octagon conformations are investigated. Their …