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- aggregation classification "A1".
- aggregation creator B356299.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation creator person.
- aggregation date "2012".
- aggregation format "application/pdf".
- aggregation hasFormat 2098741.bibtex.
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- aggregation hasFormat 2098741.dc.
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- aggregation hasFormat 2098741.doc.
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- aggregation isPartOf urn:issn:1089-5639.
- aggregation language "eng".
- aggregation rights "I have transferred the copyright for this publication to the publisher".
- aggregation subject "Physics and Astronomy".
- aggregation title "Radiation products at 77 K in trehalose single crystals: EMR and DFT analysis".
- aggregation abstract "The radicals obtained in trehalose dihydrate single crystals after 77 K X-irradiation have been investigated at the same temperature using X-band electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR), and ENDOR-induced EPR (EIE) techniques. Five proton hyperfine coupling tensors were unambiguously determined from the ENDOR measurements and assigned to three carbon-centered radical species (T1, T1*, and T2) based on the EIE spectra. EPR angular variations revealed the presence of four additional alkoxy radical species (T3 to T6) and allowed determination of their g tensors. Using periodic density functional theory (DFT) calculations, T1/T1*, T2, and T3 were identified as H-loss species centered at C4, C1', and O2', respectively. The T4 radical is proposed to have the unpaired electron at O4, but considerable discrepancies between experimental and calculated HFC values indicate it is not simply the (net) H-loss species. No suitable models were found for T5 and T6. These exhibit a markedly larger g anisotropy than T3 and T4, which were not reproduced by any of our DFT calculations.".
- aggregation authorList BK656986.
- aggregation endPage "3387".
- aggregation issue "13".
- aggregation startPage "3377".
- aggregation volume "116".
- aggregation aggregates 2098750.
- aggregation isDescribedBy 2098741.
- aggregation similarTo jp300979g.
- aggregation similarTo LU-2098741.