The electron affinities of atoms and radicals were determined from energy characteristics (enthalpy and dissociation energy of o-substituted phenol) calculated by quantum-chemical methods with the use of the HyperChem 8.0.8 (Hypercube, Inc.) and GAMESS-US (version September 7, 2006) program packages. The largest correlation coefficient of 0.974 of the electron affinity-dissociation energy relationship for o-substituted phenol was obtained by the semiempirical PM3 method.
No takes yet. Share an insight, caveat, or question.
Miniakhmetov et al. (2011) studied this question.
Synapse has enriched 5 related papers. Consider them for comparative context: