Nonadiabatic Molecular Dynamics Simulations of Correlated Electrons in Solution. 2. A Prediction for the Observation of Hydrated Dielectrons with Pump−Probe 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/jp0553232
Reference23 articles.
1. Nonadiabatic Molecular Dynamics Simulations of Correlated Electrons in Solution. 1. Full Configuration Interaction (CI) Excited-State Relaxation Dynamics of Hydrated Dielectrons
2. Theory of the Trapped Dielectron
3. Dielectrons in water clusters
4. Efficient real-space configuration-interaction method for the simulation of multielectron mixed quantum and classical nonadiabatic molecular dynamics in the condensed phase
5. Mixed Quantum/Classical Molecular Dynamics Simulations of the Hydrated Dielectron: The Role of Exchange in Condensed-Phase Structure, Dynamics, and Spectroscopy
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1. How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride;The Journal of Physical Chemistry Letters;2024-09-12
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
4. Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited States;Journal of Chemical Theory and Computation;2021-01-15
5. Excess Dielectron in an Ionic Liquid as a Dynamic Bipolaron;Physical Review Letters;2013-03-06
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