Neutral Nickel Ethylene Oligo- and Polymerization Catalysts: Towards Computational Catalyst Prediction and Design

Theoretical Structure–Reactivity Study of Ethylene Insertion into Nickel–Alkyl Bonds. A Kinetically Significant and Unanticipated Role of trans Influence in Determining Agostic Bond Strengths

(2012) Faraj Hasanayn et al.   ORGANOMETALLICS

Neutral Nickel Oligo- and Polymerization Catalysts: The Importance of Alkyl Phosphine Intermediates in Chain Termination

(2011) Wouter Heyndrickx et al.   CHEMISTRY-A EUROPEAN JOURNAL

Effect of the damping function in dispersion corrected density functional theory

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

Well-Defined Cationic Methallyl α-Keto-β-Diimine Complexes of Nickel

(2010) Jason D. Azoulay et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Density functional study for the polymerization of ethylene monomer using a new nickel catalyst

(2010) Javier Ramos et al.   JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY

Mechanistic Insights on Acrylate Insertion Polymerization

(2010) Damien Guironnet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why Did Incorporation of Acrylonitrile to a Linear Polyethylene Become Possible? Comparison of Phosphine−Sulfonate Ligand with Diphosphine and Imine−Phenolate Ligands in the Pd-Catalyzed Ethylene/Acrylonitrile Copolymerization

(2010) Kyoko Nozaki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

2-Phosphinophenolate Nickel Catalysts: Formation of Ethylene Copolymers with Isolatedsec-Alkyl, Aryl, and Functionally Substituted Alkyl Groups†

(2010) Cun-Yue Guo et al.   MACROMOLECULES

Highly Active Single-Component Neutral Nickel Ethylene Polymerization Catalysts: The Influence of Electronic Effects and Spectator Ligands

(2010) Hong-Liang Mu et al.   ORGANOMETALLICS

Accessible, Highly Active Single-Component β-Ketiminato Neutral Nickel(II) Catalysts for Ethylene Polymerization

(2010) Dong-Po Song et al.   ORGANOMETALLICS

Ethylene Polymerization Characteristics of an Electron-Deficient Nickel(II) Phenoxyiminato Catalyst Modulated by Non-Innocent Intramolecular Hydrogen Bonding†

(2010) Massimiliano Delferro et al.   ORGANOMETALLICS

Development and Application of FI Catalysts for Olefin Polymerization: Unique Catalysis and Distinctive Polymer Formation

(2009) Haruyuki Makio et al.   ACCOUNTS OF CHEMICAL RESEARCH

Coordination−Insertion Copolymerization of Fundamental Polar Monomers

(2009) Akifumi Nakamura et al.   CHEMICAL REVIEWS

Metal-catalysed olefin polymerisation into the new millennium: a perspective outlook

(2009) Vincenzo Busico   DALTON TRANSACTIONS

Can molecular quantum descriptors predict the butene selectivity in nickel(II) catalyzed ethylene dimerization? A QSPR study

(2009) Vincent Tognetti et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Metal−Phosphine Bond Strengths of the Transition Metals: A Challenge for DFT†

(2009) Yury Minenkov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mechanistic Insights on the Copolymerization of Polar Vinyl Monomers with Neutral Ni(II) Catalysts

(2009) Andreas Berkefeld et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Mechanistic Investigation on Copolymerization of Ethylene with Polar Monomers Using a Cyclophane-Based Pd(II) α-Diimine Catalyst

(2009) Chris S. Popeney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bimetallic Effects for Enhanced Polar Comonomer Enchainment Selectivity in Catalytic Ethylene Polymerization

(2009) Brandon A. Rodriguez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine−Sulfonate Catalysts

(2009) Shingo Ito et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine−Sulfonate Complexes: Experiment and Theoretical Studies

(2009) Shusuke Noda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic and Mechanistic Aspects of Ethylene and Acrylates Catalytic Copolymerization in Solution and in Emulsion

(2009) Kirill M. Skupov et al.   MACROMOLECULES

Coordination Copolymerization of Polar Vinyl Monomers H2CCHX

(2008) Andreas Berkefeld et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study

(2008) Michele Pavone et al.   CHEMICAL PHYSICS LETTERS

Copolymerization of ethylene with linear α-olefins by 2-phosphinophenolate nickel catalysts

(2008) Cun-Yue Guo et al.   JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY

Insertion Polymerization of Acrylate

(2008) Damien Guironnet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Base-Free Phosphine−Sulfonate Nickel Benzyl Complexes

(2008) Xiaoyuan Zhou et al.   ORGANOMETALLICS

Variability of Chain Transfer to Monomer Step in Olefin Polymerization

(2008) Giovanni Talarico et al.   ORGANOMETALLICS

Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes

(2008) Jason D. Azoulay et al.   ORGANOMETALLICS

Synthesis of Allylnickel Complexes with Phosphine Sulfonate Ligands and Their Application for Olefin Polymerization without Activators

(2008) Shusuke Noda et al.   ORGANOMETALLICS

SHOP-type nickel complexes with alkyl substituents on phosphorus, synthesis and catalyticethylene oligomerization

(2007) Anthony Kermagoret et al.   DALTON TRANSACTIONS