Theoretical studies on the molecular structure and reaction mechanisms of transition metal complexes

Molecular orbital calculations at the ab initio level have been used to study polytopal rearrangements in H;Transition metal compounds have been used as catalysts in the cyclooligomerization of alkynes. The reaction of W(CO)(PhC;Rhenium oxo bis(acetylene) complexes Re(O)X(RC;Ab initio molecular orbital calculations on CpIr(L)H...