Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand

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 the potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex

Protocol: rPBE0/6-31G(d)-LANL2dz

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). Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand. Figshare. 10.6084/m9.figshare.1189338