The Structure of the Hydrated Electron. Part 2. A Mixed Quantum/Classical Molecular Dynamics Embedded Cluster Density Functional Theory: Single−Excitation Configuration Interaction Study-Reference-Cited by-同舟云学术

The Structure of the Hydrated Electron. Part 2. A Mixed Quantum/Classical Molecular Dynamics Embedded Cluster Density Functional Theory: Single−Excitation Configuration Interaction Study

Published:2007-05-27 Issue:24 Volume:111 Page:5232-5243
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Shkrob Ilya A.¹,Glover William J.¹,Larsen Ross E.¹,Schwartz Benjamin J.¹

Affiliation:

1. Chemistry Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, and Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095-1569

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0682816

Reference43 articles.

1. Electron spin echo envelope modulation of trapped radicals in disordered glassy systems: Application to the molecular structure around excess electrons in γ‐irradiated 10M sodium hydroxide alkaline ice glass

2. Localization and solvation of electrons in condensed media. The simplest radical ion?

3. Matrix ENDOR Linewidths of Trapped Electrons in Glassy Matrices at 77°K

4. ESR line shape studies of trapped electrons in γ-irradiated 17O enriched 10M NaOH alkaline ice glass: Model for the geometrical structure of the trapped electron

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