Utilization of CO2 for the synthesis of fine chemicals and pharmaceuticals has attracted
tremendous attention. In fact, reductive transformation of CO2 is also an interesting …

DFT calculations of reaction mechanisms in solution have always been a hot topic,
especially for transition-metal-catalyzed reactions. The calculation of solvation energy is …

Reported herein is a modular, NiH-catalyzed system capable of proximal-selective
hydroamination of unactivated alkenes with diverse amine sources. The key to the …

Direct (utilize easily available and abundant precursors) and selective (both chemo-and
regio-) aliphatic C–H functionalization is an attractive mean with which to streamline …

Catalytic hydrosilylation of carbon dioxide has emerged as a promising approach for carbon
dioxide utilization. It allows the reductive transformation of carbon dioxide into value‐added …

This article reviews the most recent advances on the study of non-classical mechanisms for
the reduction of organic substrates with hydrosilanes catalyzed by transition metals. A wide …

This work reports a computational investigation of the effect of ancillary ligands on the
activity of an Rh catalyst for hydrogen evolution based on the [Cp* Rh] motif (Cp*= η5 …

From the two organonickel (II) scaffolds [Ni (Phbpy)]+ and [Ni (PyPhPy)]+(HPhbpy= 6-phenyl-
2, 2′-bipyridine≡ HC∧ N∧ N and Py (HPh) Py= 2, 6-di-2-pyridyl-benzene≡ N∧(HC)∧ …

Catalytic hydrogenation and dehydrogenation reactions have important scientific
significance and broad application prospects in energy storage, fine chemicals, and …

The hydroheteroarylation of allylbenzene with pyridine as catalyzed by Ni/AlMe3 and a N-
heterocyclic carbene ligand has recently been established. Density functional calculations …