Buchard, Antoine Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2 <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> metal complexes;coordination;polymers;Polylactide;zirconium;dft;chemistry;Computational Chemistry;Inorganic Chemistry 2014-10-06
    https://figshare.com/articles/dataset/Advanced_optimisations_of_fac_mer_and_trans_meso_isomers_of_Zr_3_OiPr_2/1190538
10.6084/m9.figshare.1190538.v1