Akifumi Nakamura (left) was born in 1984 in Kanagawa, Japan. He received his BS degree
in 2007 and MS degree in 2009 from the University of Tokyo under the guidance 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 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 …

The chemistry of palladium and platinum is one of the most extensive and versatile fields of
chemistry. This results from the fact that these two metals can very easily form adducts with …

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 …

The weakly coordinated triflate complex [(P∧ P) Pd (OTf)]+(OTf)−(1)(P∧ P= 1, 3-bis (di-tert-
butylphosphino) propane) is a suitable reactive precursor for mechanistic studies of the …

We have applied a nonlocal density functional method to the study of ethylene
polymerization with a Ni (II) catalytic center coordinated to diimine (HN CH− CH NH). We …

We present a first principles study of the Ziegler− Natta MgCl2-supported polymerization of
ethylene in the framework of the Car-Parrinello approach. In particular we investigate the …

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 …

Possible structures of TiCl4 molecules and TiCl3 fragments adsorbed on (110) and (100)
faces of MgCl2, simulated by clusters of different size and shape, have been studied in the …