Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2

2014-10-06T07:49:23Z (GMT) by Antoine Buchard
<p>Article title:</p> <p>Zirconium complexes of bipyrrolidine derived Salan ligands for the isoselective polymerisation of rac-lactide</p> <p>Authors:</p> <p>Matthew D. Jones,* Stuart L. Hancock, Paul McKeown, Pascal M. Schäfer, Antoine Buchard, Lynne H. Thomas, Mary F. Mahon,* and John P. Lowe</p> <p>DFT study: Computed free enthalpies of some potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex</p> <p>Protocol: M06-2X /cc-pVTZ/ ECP28MDF/ SCRF=(cpcm,solvent= chloroform)</p> <p>Content: Gaussian09 rev C.01 output files</p>