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DFT-Computation-Assisted EPR Study on Oxalate Anion-Radicals, Generated in γ-Irradiated Polycrystallites of H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O, Cs<sub>2</sub>C<sub>2</sub>O<sub>4</sub>, and K<sub>2</sub>C<sub>2</sub>O<sub>4</sub>·H<sub>2</sub>O

This report focuses on the oxalate anion radical (C<sub>2</sub>O<sub>4</sub><sup>●−</sup>) formed during γ-radiolysis of polycrystalline oxalates: protonated oxalic acid (H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>·2H<sub>2</sub>O), caesium oxalate (Cs<sub>2</sub>C<sub>2</sub>O<sub>4</sub>), and potassi...

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Glavni autori: Jarosław Sadło, Dariusz Pogocki
Format: Artigo
Jezik:Inglês
Izdano: MDPI AG 2025-11-01
Serija:Applied Sciences
Teme:
oxalate anion radical
oxalate dianion
alkali cations
EPR
DFT
<i>g</i>-tensor
Online pristup:https://www.mdpi.com/2076-3417/15/22/11898
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