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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 (Digital Object Identifier) Link: https://doi.org/10.1039/B001724H
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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.

Item Type: Journal Item
Copyright Holders: 2000 The Royal Society of Chemistry
ISSN: 1359-7345
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Life, Health and Chemical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 51637
Depositing User: Elaine Moore
Date Deposited: 28 Mar 2018 15:11
Last Modified: 07 Dec 2018 10:58
URI: http://oro.open.ac.uk/id/eprint/51637
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