Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand
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https://figshare.com/articles/dataset/Preliminary_DFT_study_of_the_isomers_of_a_Zirconium_complexe_of_bipyrrolidine_derived_Salan_ligand/1189338
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资源简介：
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
创建时间：
2014-10-06
