Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands.
Gilles TiraboschiNohad GreshClaude Giessner-PrettreLee G. PedersenDavid W. DeerfieldPublished in: J. Comput. Chem. (2000)