The thermodynamic stability of radicals as defined through isodesmic hydrogen transfer
reactions has been explored at a variety of theoretical levels. Radical stabilization energies …

Recent interest in the application of density functional theory prompted us to test various
functionals for the van der Waals interactions in the rare-gas dimers, the alkaline-earth metal …

Radical stabilization energies (RSEs) for a wide variety of nitrogen-centered radicals and
their protonated counterparts have been calculated at G3 (MP2)-RAD and G3B3 level. The …

Long-lived organic radicals are promising candidates for the development of high-
performance energy solutions such as organic redox batteries, transistors, and light-emitting …

The thermodynamic stability of carbon-centered radicals may be defined in quantitative
terms using the hydrogen transfer reaction shown in eqn (a). The stability values obtained in …

Resonance-stabilised hydrocarbon radicals serve as reaction intermediates in flames,
plasmas, atmospheres and interstellar space. Their stability is conferred by delocalisation of …

The article presents a study of chemoselective peptide ligation-desulfurization to a protected
β-mercapto aspartate (Asp) residue. It develops an scalable route to a protected β-mercapto …

We describe a synthetic approach to sterically hindered α-hydroxy carbonyl compounds
through radical–radical coupling. An organic photoredox catalysis reaction converts an …

Density functional theory was used to calculate C–H bond dissociation enthalpies (BDEs) at
each position of a diverse collection of pyranosides and furanosides differing in relative …

Various contemporary theoretical procedures have been tested for their accuracy in
predicting the bond dissociation energies (BDEs) and the radical stabilization energies …