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 …

The distortion/interaction model has been used to explain and predict reactivity in a variety
of reactions where more common explanations, such as steric and electronic factors, do not …

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

The iridium-catalyzed borylation of mono-and disubstituted arenes and heteroarenes has
been studied with density functional theory. The distortion/interaction model was employed …

Many experiments have shown that nickel with monodentate phosphine ligands favors the C
(aryl)–O activation over the C (acyl)–O activation for aryl esters. However, Itami and co …

The Diels–Alder reactions of seven 1, 2, 4, 5-tetrazines with unstrained and strained alkenes
and alkynes were studied with quantum mechanical calculations (M06-2X density functional …

The Diels–Alder reactions of the cycloalkenes, cyclohexene through cyclopropene, with a
series of dienes 1, 3-dimethoxybutadiene, cyclopentadiene, 3, 6-dimethyltetrazine, and 3 …

The present review is focused on the application of computational/theoretical methods to the
wide and rich chemistry of allenes. Special emphasis is made on the interplay and synergy …

The azide–dibenzocyclooctyne and trans-cyclooctene–tetrazine cycloadditions are both
bioorthogonal and mutually orthogonal: trans-cyclooctene derivatives greatly prefer to react …