Partial cross-sections of hydrated hydronium reduction

Cross-sections of the hydrogen atom formation upon the electron capture by positively charged hydronium-water clusters in gas phase are found with the use of the Breit-Wigner approximation. Calculations are based on the data of quantum chemical studies of H3O+(H2O)(n) and H3O(H2O)(n) clusters, including the estimated average density of high-lying states of the radicals, the determined character of the unpaired electron density distribution, and the constructed dependence of the electron-cation interaction energy on the number of water molecules. Lifetimes of the radicals before the dissociation are taken from the classical nonempirical molecular dynamics runs.