| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5420617 | Solid State Nuclear Magnetic Resonance | 2011 | 20 Pages |
Abstract
⺠We review the DFT GIPAW method for the calculation of NMR parameters in solids. ⺠GIPAW incorporates the full periodicity of crystals. ⺠GIPAW is now recognized as a valuable tool for definite assignments of spectra. ⺠As a part of NMR crystallography, GIPAW help refine structures. ⺠With molecular dynamics, GIPAW can account for structural and/or dynamical disorder.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Thibault Charpentier,