The activation strain or distortion/interaction model is a tool to analyze activation barriers that
determine reaction rates. For bimolecular reactions, the activation energies are the sum of …

In this Tutorial Review, we make the point that a true understanding of trends in reactivity (as
opposed to measuring or simply computing them) requires a causal reactivity model. To this …

Coordination compounds of Ag (I), Cu (II), Ni (II), Fe (III) and VO (II) ions were synthesized
from the ligand 2-(((9H-purin-6-yl) imino) methyl)-4-bromophenol (ABS). Microanalysis …

The Lewis acid (LA)‐catalyzed Diels–Alder reaction between isoprene and methyl acrylate
was investigated quantum chemically using a combined density functional theory and …

The activation strain model is a powerful tool for understanding reactivity, or inertness, of
molecular species. This is done by relating the relative energy of a molecular complex along …

Herein, we provide an account of the activation strain model of chemical reactivity and its
recent applications. In this model, the potential energy surface ΔE (ζ) along the reaction …

The reaction potential energy surface (PES), and thus the mechanism of bimolecular
nucleophilic substitution (SN2), depends profoundly on the nature of the nucleophile and …

Abstract Das Activation‐Strain‐oder Distortion/Interaction‐Modell ist ein Instrument zur
Analyse von Aktivierungsbarrieren und damit von Reaktionsgeschwindigkeiten. Für eine …

The catalytic stereoselective synthesis of compounds with chiral phosphorus centers
remains an unsolved problem. State-of-the-art methods rely on resolution or stoichiometric …

We have quantum chemically analyzed the catalytic effect of dihalogen molecules (X2= F2,
Cl2, Br2, and I2) on the aza‐Michael addition of pyrrolidine and methyl acrylate using …