The development of catalytic methodologies involving the formation of C–C bonds to enable
the generation of cyclic systems constitutes a field of great relevance in synthetic organic …

Computational chemistry provides a versatile toolbox for studying mechanistic details of
catalytic reactions and holds promise to deliver practical strategies to enable the rational in …

The chemistry of organoelement compounds is now one of the most rapidly developing
fields of research, regarding both fundamental science and solution of applied problems …

Photoredox/transition-metal dual catalysis has become a hot research topic in the
development of methodologies. Density functional theory (DFT) calculations have been …

The analysis of a chemical reaction along the ground-state potential energy surface in
conjunction with an unknown spin state is challenging because electronic states must be …

Adaptive ligands, which can adapt their coordination mode to the electronic structure of
various catalytic intermediates, offer the potential to develop improved homogeneous …

In typical catalytic organic transformations, transition metals in catalytically active complexes
are present in their most stable valence states, such as palladium (0) and (II). However …

We describe the results of our combined experimental and computational investigation of
structurally analogous (N-phosphinoamidinate) metal (N (SiMe3) 2) precatalysts ((PN) M; …

Common iron (II), cobalt (II), and nickel (II) bromides were reacted with 2, 2′-bis
(diisopropylphosphino) tolane 1-P (R= i Pr), which led to the isolation of P-heterocyclic …

A simple catalytic system of Ni (PPh3) 2Cl2/dppb or dppm/Zn can effect an efficient and
regioselectively controlled alkyne cyclotrimerization to form 1, 2, 4-(with no additive) or 1, 3 …