An assignment of the Na-23 MAS NMR spectrum of Na5P3O10 center dot H2O using a general ab initio method

Citation
C. Johnson et al., An assignment of the Na-23 MAS NMR spectrum of Na5P3O10 center dot H2O using a general ab initio method, CHEM COMMUN, (9), 2000, pp. 791-792
Citations number
11
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
CHEMICAL COMMUNICATIONS
ISSN journal
1359-7345 → ACNP
Issue
9
Year of publication
2000
Pages
791 - 792
Database
ISI
SICI code
1359-7345(2000):9<791:AAOTNM>2.0.ZU;2-T
Abstract
A new assignment method based on the periodic ab initio calculation of Na-2 3 quadrupole coupling information using the CRYSTAL95 code is described and applied to the multisite problem posed by Na5P3O10. 6H(2)O.