Hide/Show Apps

AM1 treatment of some [2(2)](1,4)-cyclophane-fused tetraazaporphyrins

2000-09-18
Türker, Burhan Lemi
AM1-type semiempirical molecular orbital calculations at the level of RHF approach have bean performed on certain [2(2)](1,4)-cyclophane-fused tetraazaporphyrins having Be+2, Si+2, Si+4, Ge+2, Ge+4 and Zn+2 as the central ions. The geometries, stabilities and the frontier molecular orbital energies were discussed.