We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Einstein proposed his theory of special relativity in 1905. For a long time it was believed that
this theory has no significant impact on chemistry. This view changed in the 1970s when it …

This research report is devoted to guanidinyl‐functionalized aromatic compounds (GFAs),
which represent a new class of strong electron donors and redox‐active ligands. Charge …

Oxide-supported Pt-group single atoms and clusters in the subnanometer size regime
maximize the metal utilization and have shown extraordinary catalytic properties for many …

A concise summary is provided on the basic aspects of charge density (CD) analysis and an
overview of the charge density research and developments over the last 10 years. A glimpse …

Experimental charge densities for (C5H5) Mn (CO) 3 (2),(η6-C6H6) Cr (CO) 3 (3), and (E)-
{(η5-C5H4) CF CF (η5-C5H4)}(η5-C5H5) 2Fe2 (4) have been obtained by multipole …

Intricate behaviour of one‐electron potentials from the Euler equation for electron density
and corresponding gradient force fields in crystals was studied. Channels of locally …

The chemical structure of diborane was elucidated through the superposition of the vector
fields of the electron density gradient∇ ρ (r), the electrostatic force F es (r), and the kinetic …

Compounds including the free or coordinated gas‐phase cations [Ag (η2‐C2H4) n]+(n= 1–
3) were stabilized with very weakly coordinating anions [A]−(A= Al {OC (CH3)(CF3) 2} 4, n …

Despite the interest in them, easily isolable and thermally stable CuI, AgI, and AuI
complexes of ethylene are stilllimited and get increasingly sparse as one descends the …