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Data · dataset · 2014

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

Listed in University of Bath Research Data Archive

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

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Catalogue records · 1

Topics

From keywords
Biomaterials · Chemistry · Earth & Environmental Science
Inferred from text
Density functional theory 65%
Provenance · 1 source records, 7 field assertions
SourceKeyLast seenRaw
University of Bath Research Data Archiveoai:researchdata.bath.ac.uk:1132 d agoJSON v1
FieldAssertionExtractorEvidence
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concepts[field].local:field:chemistrymapping · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
concepts[field].local:field:earth-environmentalmapping · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
concepts[method].local:method:dftenrichment · researchdata bath ac ukkeyword-concept-rules@1.0.0title+description (65%)
descriptionsource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0/metadata/dc/description
publication_datesource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0
titlesource · researchdata bath ac ukconnector:researchdata_bath_ac_uk@1.0.0/metadata/dc/title