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List of works by Theodorus de Bruin

A DFT Chemical Descriptor to Predict the Selectivity in α-Olefins in the Catalytic Metallacyclic Oligomerization Reaction of Ethylene According to the (Hemi)labile Ligand Coordinating to Titanium

scholarly article by Theodorus de Bruin et al published 13 October 2008 in Organometallics

A QSPR Investigation of Thermal Stability of [Al(CH3)O]n Oligomers in Methylaluminoxane Solution: The Identification of a Geometry-Based Descriptor

Characterizing agosticity using the quantum theory of atoms in molecules: bond critical points and their local properties

scientific article published on 23 May 2012

Computational study of the effect of confinement within microporous structures on the activity and selectivity of metallocene catalysts for ethylene oligomerization

scientific article published on 08 February 2011

Evidence for the Iron(III) Oxidation State in Bis(imino)pyridine Catalysts. A Density Functional Theory Study

article

First-Principles Chemical Kinetic Modeling of Methyl trans-3-Hexenoate Epoxidation by HO2.

scientific article published on 16 February 2017

In SilicoPrediction of Catalytic Oligomerization Degrees

Insight into the reactivity of olefins in the Pauson-Khand reaction.

scientific article published in February 2004

Iron bis(arylimino)pyridine precursors activated to catalyze ethylene oligomerization as studied by DFT and QSAR approaches

Theoretical Unraveling of Selective 1-Butene Oligomerization Catalyzed by Iron−Bis(arylimino)pyridine

Theoretical study of the regiochemistry-determining step of the Pauson-Khand reaction

scientific article published on 01 July 2001

Thermodynamic and transport properties of carbon dioxide from molecular simulation

scientific article published on 01 February 2007

Understanding the role of aluminum-based activators in single site iron catalysts for ethylene oligomerization

scholarly article by Zoubeyr Boudene et al published August 2014 in Journal of Catalysis

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