Mixed Quantum/Classical Molecular Dynamics Simulations of the Hydrated Dielectron: The Role of Exchange in Condensed-Phase Structure, Dynamics, and Spectroscopy
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp048951c
Reference58 articles.
1. On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I
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5. Energy Levels of Bound Electrons in Liquid Ammonia
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2. Roles of H-Bonding and Hydride Solvation in the Reaction of Hydrated (Di)electrons with Water to Create H2 and OH–;Journal of Chemical Theory and Computation;2024-08-07
3. Molecular Dynamics Characterization of Dielectron Hydration in Liquid Water with Unique Double Proton Transfers;Journal of Chemical Theory and Computation;2021-01-21
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5. Quantum chemical DFT calculations of the local structure of the hydrated electron and dielectron;Journal of Structural Chemistry;2014-07
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