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-Reference-Cited by-同舟云学术

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

Published:2015 Issue:60 Volume:5 Page:48246-48254
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Manz Thomas A.¹²³⁴⁵

Affiliation:

1. Department of Chemical & Materials Engineering

2. New Mexico State University

3. Las Cruces

4. USA

5. School of Chemical Engineering

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.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA00546A

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