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

Dataset

Description

Article title:

Zirconium complexes of bipyrrolidine derived Salan ligands for the isoselective polymerisation of rac-lactide

Authors:

Matthew D. Jones,* Stuart L. Hancock, Paul McKeown, Pascal M. Schäfer, Antoine Buchard, Lynne H. Thomas, Mary F. Mahon,* and John P. Lowe

DFT study: Computed free enthalpies of some potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex

Protocol: M06-2X /cc-pVTZ/ ECP28MDF/ SCRF=(cpcm,solvent= chloroform)

Content: Gaussian09 rev C.01 output files
Date made available6 Oct 2014
PublisherFigshare

Cite this

Buchard, A. (Creator), Jones, M. (Project Leader), McKeown, P. (Project Member). (6 Oct 2014). Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2. Figshare. 10.6084/m9.figshare.1190538