Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials

Derek S. Middlemiss; Andrew J. Ilott; Raphaële J. Clément; Fiona C. Strobridge; Clare P. Grey

doi:10.1021/cm400201t

journal article Apr 23, 2013

Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials

Derek S. Middlemiss Andrew J. Ilott Raphaële J. Clément

Fiona C. Strobridge Clare P. Grey

Chemistry of Materials Vol. 25 No. 9 pp. 1723-1734 · American Chemical Society (ACS)

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Details

Published: Apr 23, 2013
Vol/Issue: 25(9)
Pages: 1723-1734

Authors

D

Derek S. Middlemiss

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.

A

Andrew J. Ilott

Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794-3400, United States

R

Raphaële J. Clément

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.

F

Fiona C. Strobridge

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.

C

Clare P. Grey

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.; Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794-3400, United States

Cite This Article

Derek S. Middlemiss, Andrew J. Ilott, Raphaële J. Clément, et al. (2013). Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials. Chemistry of Materials, 25(9), 1723-1734. https://doi.org/10.1021/cm400201t

Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials

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