The energy decomposition analysis (EDA) is a powerful method for a quantitative
interpretation of chemical bonds in terms of three major components. The instantaneous …

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 …

The energy decomposition analysis (EDA) is a powerful method for a quantitative
interpretation of chemical bonds in terms of three major expressions. The instantaneous …

We begin with a brief historical review of the development of our understanding of the
normal ordering of nd orbitals of a transition metal interacting with ligands, the most common …

The chemistry of the s-block metals is dominated by the+ 1 oxidation state for the Alkali
metals (group 1) and the+ 2 oxidation state for the Alkaline Earth metals (group 2). In recent …

Design and development of synthetic strategies for the isolation of lower-valent compounds
of p-block elements in the 1980s and 1990s marked the arrival of new classes of ligands in …

Atom‐precise, ligand‐stabilized metalloid clusters have emerged as outstanding model
systems to study fundamental structure and bonding situations of compositionally related …

Agostic interaction refers to the bonding between a coordinatively unsaturated metal atom
and its ligand, and is characterized by the drawing of the ligand towards the metal. The most …

Abstract The triangular clusters [Zn3Cp* 3]+ and [Zn2CuCp* 3] were obtained by addition of
the in situ generated, electrophilic, and isolobal species [ZnCp*]+ and [CuCp*] to Carmona's …

Quantum chemical calculations using density functional theory have been carried out for the
cyclic (alkyl)(amino) carbene (cAAC) complexes of the group 11 atoms [TM (cAAC) 2](TM …