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Characteristics of the Paramagnetic 1H-NMR Spectra of the Ferricytochrome c-551 Family

✍ Scribed by Russell Timkovich; Mengli Cai; Bali Zhang; David M. Arciero; Alan B. Hooper


Book ID
115130597
Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
1010 KB
Volume
226
Category
Article
ISSN
1432-1327

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Nuclear shieldings, including the Fermi-contact and pseudocontact terms, have been calculated with density functional theory (DFT) (nonrelativistic and relativistic) methods in several Ru(III) complexes, thereby predicting 1 H and 13 C paramagnetic shifts. A fair agreement with experimental values i