The transition metal dithiolene complexes bearing unusual electronic and redox non-
innocent ligands hold a wide range of applications in the fields of optical materials …

Throughout the previous ten years many scientists took inspiration from natural molybdenum
and tungsten-dependent oxidoreductases to build functional active site analogues. These …

A computational study on the detailed mechanism and stereoselectivity of the chiral
phosphine‐catalyzed C (sp2) H activation/[3+ 3] annulation between Morita–Baylis …

Olefin purification is an important process in petrochemistry. The behavior of the nickel bis
(dithiolene) complex Ni (S2C2 (CF3) 2) 2 (1 _Ni) as an electrocatalyst for this process was …

Nickel bis (dithiolene) reversibly binds olefins via a known interligand binding mechanism,
but the complex has limited practical use, due to a competitive intraligand addition which …

We have investigated the mechanism for the reversible addition of ethylene to a periodic 2D
network of square-planar nickel centers ([Ni (SC) 4] n) using density functional theory. The …

The electrochemically reversible binding of olefins by nickel bis (dithiolene) has been
extensively studied, both theoretically and computationally. To optimize a catalyst for this …

We performed density functional theory computations to study the structural and electronic
properties as the basis of ethylene addition activity for [Ni (XC) 4] n (X= Se, S)-extended …

Considering that olefins present a large volume feedstock, it is reasonable to expect that
their purification is industrially critical. After the discovery of the nickel bis (dithiolene) …

The detailed mechanisms of the Lewis acid‐catalyzed transesterification of β‐
oxodithioesters at a solvent‐free condition were studied using density functional theory. Five …