Cocatalysts for metal-catalyzed olefin polymerization: activators, activation processes, and structure− activity relationships

EYX Chen, TJ Marks - Chemical Reviews, 2000‏ - ACS Publications
One of the most exciting developments in the areas of catalysis, organometallic chemistry,
and polymer science in recent years has been the intense exploration and …

Agostic interactions in transition metal compounds

M Brookhart, MLH Green, G Parkin - … of the National Academy of Sciences, 2007‏ - pnas.org
Agostic interactions in transition metal compounds | PNAS PNAS Logo PNAS Logo
ARTICLES Current IssueLatest ArticlesSpecial FeaturesList of IssuesPNAS Nexus Front …

Boron science

NS Hosmane - New technologies and applications, 2011‏ - api.taylorfrancis.com
What is boron? The question itself may not seem very significant to many people. Their
introduction to the word “boron” could come as the butt of a joke. Conan O'Brien made jokes …

Theoretical studies on reactions of transition-metal complexes

S Niu, MB Hall - Chemical reviews, 2000‏ - ACS Publications
Stoichiometric and catalytic transition-metal reactions have attracted great interest for their
many applications in industrial and synthetic processes. Transition-metal reactions are …

Effect of collective dynamics and anharmonicity on entropy in heterogenous catalysis: Building the case for advanced molecular simulations

G Collinge, SF Yuk, MT Nguyen, MS Lee… - ACS …, 2020‏ - ACS Publications
We present a perspective on the computational determination of entropy and its effects and
consequences on heterogeneous catalysis. Special attention is paid to the role of …

Theoretical methods of potential use for studies of inorganic reaction mechanisms

T Ziegler, J Autschbach - Chemical reviews, 2005‏ - ACS Publications
It is customary1 to analyze a chemical process as a series of several elementary reaction
steps. In every elementary step, a transformation takes place from one minimum on the …

The role of bulky substituents in Brookhart-type Ni (II) diimine catalyzed olefin polymerization: a combined density functional theory and molecular mechanics study

L Deng, TK Woo, L Cavallo, PM Margl… - Journal of the American …, 1997‏ - ACS Publications
The role of the bulky ligands in Ni (II) diimine catalyzed ethylene polymerization has been
examined with a combined density functional theory quantum mechanics and molecular …

Constrained geometry complexes—Synthesis and applications

H Braunschweig, FM Breitling - Coordination chemistry reviews, 2006‏ - Elsevier
Transition metal complexes bearing linked cyclopentadienyl amido ligands, regularly
referred to as constrained geometry complexes (CGCs), have found wide interest both in …

Mechanism of ruthenium-catalyzed olefin metathesis reactions from a theoretical perspective

L Cavallo - Journal of the American Chemical Society, 2002‏ - ACS Publications
This paper presents a density functional theory study of the ruthenium-catalyzed olefin
metathesis reactions. The ligand binding energy has been calculated in the first generation …

[ספר][B] Handbook of transition metal polymerization catalysts

R Hoff, RT Mathers - 2010‏ - books.google.com
A one-stop resource for understanding and applying polymerization catalysts An edited
volume featuring contributions from leading researchers, the Handbook of Transition Metal …