The outstandingly rapid scientific and technological development of metallocene-based
catalysts for olefin polymerization is a perfect example of the successful application of …

Stoichiometric and catalytic transition-metal reactions have attracted great interest for their
many applications in industrial and synthetic processes. Transition-metal reactions are …

The phenomenon of agostic interactions is reviewed and the nature of the interaction is
revisited. A historical perspective is followed by an overview of experimental techniques …

The participation of 4f electrons in the bonding of the lanthanide complexes Ln (NR2) 3; R=
H, SiH3, has been investigated at the DFT level. Structural parameters obtained with small …

The explosive growth of computational catalysis over the past two decades is reflected by
the exponentially increasing number of citations. The Essay traces the historical …

Der Zugang zu weiterführenden Informationen ist durch ein Literaturverzeichnis gegeben,
das schwerpunktmäßig Übersichtsartikel, aber auch neuere Originalarbeiten enthält …

We present an extensive theoretical study of the iron (II)− bisimine pyridine based ethylene-
polymerization catalysts {[2, 6-((R) NC (R ')) 2− C5H3N] FeC3H7}+(R= R '= H, 1a; R= 2, 6 …

We present a systematic investigation of chain-termination processes for a number of d0 [L]
MR (0,+, 2+) fragments (M= Sc (III), Y (III), La (III), Lu (III), Ti (IV), Zr (IV), Hf (IV), Ce (IV), Th …

The present study characterizes changes in the electronic structure of reactants during
chemical reactions based on the combined charge and energy decomposition scheme, ETS …

We present a systematic investigation of chain propagation by ethylene insertion into the M−
C2H5 bond for a number of d0 [L] M-C2H5 (0,+, 2+)-fragments (M= Sc (III), Y (III), La (III), Lu …