Role(s) of TMA in polymerization

Olefin polymerisation catalysts: when perfection is not enough

(2015) R. Cipullo et al.   DALTON TRANSACTIONS

Calculating accurate barriers for olefin insertion and related reactions

(2015) Christian Ehm et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Effect of Ligand Structure on Olefin Polymerization by a Metallocene/Borate Catalyst: A Computational Study

(2015) Anniina Laine et al.   ORGANOMETALLICS

Catalyst activation and the dimerization energy of alkylaluminium compounds

(2014) Christian Ehm et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Reactivity of Yttrium Carboxylates Toward Alkylaluminum Hydrides

(2013) Christoph Schädle et al.   CHEMISTRY-A EUROPEAN JOURNAL

Rapid evaluation of catalysts and MAO activators by kinetics: what controls polymer molecular weight and activity in metallocene/MAO catalysts?

(2013) Fabio Ghiotto et al.   DALTON TRANSACTIONS

Probing the interactions between all components of the catalytic pool for homogeneous olefin polymerisation by diffusion NMR spectroscopy

(2013) Luca Rocchigiani et al.   DALTON TRANSACTIONS

Mass Spectrometric Characterization of Methylaluminoxane

(2013) Tyler K. Trefz et al.   ORGANOMETALLICS

Characterization of Isobutylaluminoxanes by Electrospray Ionization Mass Spectrometry

(2013) Matthew A. Henderson et al.   ORGANOMETALLICS

Probing the Structure of Methylalumoxane (MAO) by a Combined Chemical, Spectroscopic, Neutron Scattering, and Computational Approach

(2013) Fabio Ghiotto et al.   ORGANOMETALLICS

Development of a Large-Scale Stopped-Flow System for Heterogeneous Olefin Polymerization Kinetics

(2012) Toshiaki Taniike et al.   Macromolecular Reaction Engineering

α- and β-Agostic Alkyl–Titanocene Complexes

(2012) Alexandre F. Dunlop-Brière et al.   ORGANOMETALLICS

The Pseudopotential Approximation in Electronic Structure Theory

(2011) Peter Schwerdtfeger   CHEMPHYSCHEM

Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals

(2011) Yan Zhao et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Zirconium-Catalyzed Carboalumination of α-Olefins and Chain Growth of Aluminum Alkyls: Kinetics and Mechanism

(2011) James M. Camara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermochemistry of the Initial Steps of Methylaluminoxane Formation. Aluminoxanes and Cycloaluminoxanes by Methane Elimination from Dimethylaluminum Hydroxide and Its Dimeric Aggregates

(2011) Rainer Glaser et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

Molecular core-valence correlation effects involving the post-d elements Ga–Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets

(2010) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

The Chemistry of Catalyst Activation: The Case of Group 4 Polymerization Catalysts†

(2010) Manfred Bochmann   ORGANOMETALLICS

Reactive Intermediates Formed During Olefin Polymerization by Methylalumoxane-Activatedansa-Zirconocene Catalysts: Identification of a Chain-Carrying Intermediate by NMR Methods

(2009) Dmitrii E. Babushkin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hafnocenes and MAO: Beware of Trimethylaluminum!

(2009) Vincenzo Busico et al.   MACROMOLECULES

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

(2009) Roman Raucoules et al.   ORGANOMETALLICS

Narrowly Distributed Polyethylene via Reversible Chain Transfer to Aluminum by a Sterically Hindered Zirconocene/MAO

(2009) Fereshteh Rouholahnejad et al.   ORGANOMETALLICS

Highly Efficient, Living Coordinative Chain-Transfer Polymerization of Propene with ZnEt2:  Practical Production of Ultrahigh to Very Low Molecular Weight Amorphous Atactic Polypropenes of Extremely Narrow Polydispersity

(2007) Wei Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY