Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum-Reference-Cited by-同舟云学术

Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum

Published:2002-12-11 Issue:2 Volume:125 Page:541-548
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Profeta Mickael¹,Mauri Francesco¹,Pickard Chris J.¹

Affiliation:

1. Contribution from the Laboratoire de Minéralogie-Cristallographie de Paris, Université Pierre et Marie Curie, 4, place Jussieu, 75252 Paris Cedex 5, France, and TCM Group, Cavendish Laboratory, Madingley Road, Cambridge CB3 OHE, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja027124r

Reference36 articles.

1. All-electron magnetic response with pseudopotentials: NMR chemical shifts

2. Si-O-Si bond-angle distribution in vitreous silica from first-principles29SiNMR analysis

3. Solid-State 17O Magic-Angle and Dynamic-Angle Spinning NMR Study of the SiO2 Polymorph Coesite

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