Roles of H-Bonding and Hydride Solvation in the Reaction of Hydrated (Di)electrons with Water to Create H2 and OH–
WR Borrelli, JL Guardado Sandoval… - Journal of Chemical …, 2024 - ACS Publications
Even though single hydrated electrons (e hyd–'s) are stable in liquid water, two hydrated
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride
In the radiation chemistry of water, two hydrated electrons (e hyd−) can react to form H2 and
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
Evaluating the Chemical Reactivity of DFT-Simulated Liquid Water with Hydrated Electrons via the Dual Descriptor
Modeling the various properties of liquid water, particularly its reactivity, has been a
longstanding challenge for simulation methods. Recently, ab initio simulations based on …
longstanding challenge for simulation methods. Recently, ab initio simulations based on …
Electronic dynamics in solution phase chemical reactions: Photodissociation of alkali dimer cations and the hydrogen evolution reaction of hydrated electrons
KJR Mei - 2024 - search.proquest.com
Although theoretical treatments of gas phase chemical reactions provide an intuitive
representation how such reaction should proceed, it is questionable whether similar …
representation how such reaction should proceed, it is questionable whether similar …