PREDICTION OF ACTIVITY AND PROPERTIES OF ZIRCONOCENE CATALYST FOR ETHYLENE AND 1-HEXENE COPOLYMERIZATION BY QSAR/QSPR MODELLING

Quantitative structure-activity/property relationships (QSA/PR) methodology has been applied to explain the experimental data correlation of the structure related properties of zirconocene catalysts. The relationship between experimental ethylene and 1-hexene copolymerization activity of the series of zirconocene catalysts with different substitution patterns in the cyclopentadienyl and indenyl rings and physical properties were obtained. In this work, 3 sets of zirconocene catalyst consisting of 19 zirconocene complexes in total were used to build QSA/PR model. All zirconocene...
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