An assignment of the 23Na MAS NMR spectrum of Na5P3O10·6H2O using a general ab initio method

Johnson, Clive; Moore, Elaine A. and Mortimer, Michael (2000). An assignment of the 23Na MAS NMR spectrum of Na5P3O10·6H2O using a general ab initio method. Chemical Communications, 9 pp. 791–792.

DOI: https://doi.org/10.1039/B001724H

Abstract

A new assignment method based on the periodic ab initio calculation of 23Na quadrupole coupling information using the CRYSTAL95 code is described and applied to the multi-site problem posed by Na5P3O10·6H2O.

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