First-Principles Calculation of the 17O NMR Parameters of a Calcium Aluminosilicate Glass-Reference-Cited by-同舟云学术

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First-Principles Calculation of the 17O NMR Parameters of a Calcium Aluminosilicate Glass

Published:2005-03-15 Issue:13 Volume:109 Page:6052-6060
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Benoit Magali¹,Profeta Mickaël²,Mauri Francesco²,Pickard Chris J.³,Tuckerman Mark E.⁴

Affiliation:

1. CEMES, 29 rue Jeanne Marvig, BP 94347, 31055 Toulouse Cedex 4, France

2. Laboratoire de Minéralogie-Cristallographie de Paris, Université Pierre et Marie Curie, 4, place Jussieu, 75252 Paris Cedex, France

3. TCM Group, Cavendish Laboratory, Madingley Road, Cambridge, CB3 OHE, United Kingdom

4. Department of Chemistry and Courant Institute of Mathematical Sciences, 100 Washington Square East, New York University, New York, New York 10003

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0492570

Reference65 articles.

1. Molecular structure and nucleation in silicate glasses

2. Peraluminous viscosity maxima in Na2OAl2O3SiO2 liquids: The role of triclusters in tectosilicate melts

3. Calculation of the electric field gradients at `tricluster'-like O atoms in the polymorphs of Al2SiO5 and in aluminosilicate molecules: models for tricluster O atoms in glasses

4. Evidence for Al/Si tetrahedral network in aluminosilicate glasses from AlK-edge x-ray-absorption spectroscopy

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