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Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics
51/51 checkable references clean · checked 2026-07-23
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
2 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.
The 51 checked references that resolve
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THE ABSORPTION SPECTRA OF THE BLUE SOLUTIONS OF CERTAIN ALKALI AND ALKALINE EARTH METALS IN LIQUID AMMONIA AND IN METHYLAMINE.
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<b>Absorption Spectrum of the Hydrated Electron in Water and in Aqueous Solutions</b>
resolves10.1021/cr030453x
Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances
resolves10.1021/jp992723e
Spur Decay of the Solvated Electron in Picosecond Radiolysis Measured with Time-Correlated Absorption Spectroscopy
resolves10.1021/jp014291p
Solvation Dynamics of the Hydrated Electron Depends on Its Initial Degree of Electron Delocalization
resolves10.1021/jp068278m
The Structure of the Hydrated Electron. Part 1. Magnetic Resonance of Internally Trapping Water Anions: A Density Functional Theory Study
resolves10.1063/1.457805
Photoelectron spectroscopy of hydrated electron cluster anions, (H2O)−<i>n</i>=2–69
resolves10.1126/science.1106719
Observation of Large Water-Cluster Anions with Surface-Bound Excess Electrons
resolves10.1021/ja0587446
Electron Binding Motifs of (H<sub>2</sub>O)<i><sub>n</sub></i><sup>-</sup> Clusters
resolves10.1038/nchem.580
Binding energies, lifetimes and implications of bulk and interface solvated electrons in water
resolves10.1103/PhysRevLett.105.043002
Dynamics of Electron Localization in Warm versus Cold Water Clusters
resolves10.1021/jp1049028
Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States
resolves10.1063/1.1570407
Molecular simulation of a hydrated electron at different thermodynamic state points
resolves10.1126/science.1115808
Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations
resolves10.1021/jp806077h
Model Potential Approaches for Describing the Interaction of Excess Electrons with Water Clusters: Incorporation of Long-Range Correlation Effects
resolves10.1063/1.3490479
A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum
resolves10.1021/jp908876f
Response of Observables for Cold Anionic Water Clusters to Cluster Thermal History
resolves10.1021/jp0682816
The Structure of the Hydrated Electron. Part 2. A Mixed Quantum/Classical Molecular Dynamics Embedded Cluster Density Functional Theory: Single−Excitation Configuration Interaction Study
resolves10.1073/pnas.0603679103
First-principles, quantum-mechanical simulations of electron solvation by a water cluster
resolves10.1021/jp9066108
Application of the Diffusion Monte Carlo Method to the Binding of Excess Electrons to Water Clusters
resolves10.1021/jp800269s
Hydrated Electron Production by Reaction of Hydrogen Atoms with Hydroxide Ions: A First-Principles Molecular Dynamics Study
resolves10.1021/jp711545s
Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion: From an Interior to a Surface-Located Excess Electron via a Delocalized State
resolves10.1103/PhysRevLett.90.226403
First-Principles Molecular-Dynamics Simulations of a Hydrated Electron in Normal and Supercritical Water
resolves10.1021/jp051096s
Calculation of Electron Detachment Energies for Water Cluster Anions: An Appraisal of Electronic Structure Methods, with Application to (H<sub>2</sub>O)<sub>20</sub><sup>-</sup> and (H<sub>2</sub>O)<sub>24</sub><sup>-</sup>
resolves10.1002/jcc.20495
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
resolves10.1039/b501603g
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods
resolves10.1063/1.2770708
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
resolves10.1016/j.cpc.2004.12.014
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
resolves10.1063/1.1391476
Moment analysis of hydrated electron cluster spectra: Surface or internal states?
resolves10.1063/1.3094732
Interior- and surface-bound excess electron states in large water cluster anions
resolves10.1021/j100191a033
Hydrogen/deuterium isotope effects in water radiolysis. 4. The mechanism of aquated hydrogen atom .dblharw. solvated electron [ (H)aq .dblharw. (e-)aq] interconversion
resolves10.1039/b704066k
Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters
resolves10.1039/C0CP01518K
Photochemistry of HI on argon and waternanoparticles: Hydronium radical generation in HI·(H
<sub>2</sub>
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The 2 references without a DOI — listed, not checked
no DOI — not checkedAdvanced Inorganic Chemistry
no DOI — not checkedThe hydrated electron
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