Published in
Royal Society of Chemistry, RSC Advances, 60(5), p. 48246-48254, 2015
DOI: 10.1039/c5ra00546a
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Deactivation of Ti and Zr half-metallocene complexes activated with B(C6F5)3: a case study in constructing DFT-based QSARs to predict unimolecular rate constants
Journal article published in 2015 by
Thomas A. Manz 
This paper is made freely available by the publisher.
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Abstract
A DFT-based QSAR was constructed to predict the deactivation pathways and rate constants for twenty-seven Ti and Zr half-metallocene complexes activated with B(C6F5)3.