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Topological Characterization of Three-Electron-Bonded Radical Anions

✍ Scribed by Fourré, Isabelle; Silvi, Bernard; Sevin, Alain; Chevreau, Hilaire

Book ID
126094160
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
319 KB
Volume
106
Category
Article
ISSN
1089-5639

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The potential surface of the hydrogen peroxide anion is explored, with special attention to the three-electron bonded form. The stability of this conformer is found to be sensitive to the level of computation. The artefacts that are encountered at low computational levels are qualitatively analyzed