@article{3456986bf6444dc8bed37275e506f145,
title = "Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum",
author = "M Profeta and F Mauri and Pickard, {Christopher James}",
note = "This is another early application of the GIPAW method. We also implemented the calculation of EFGs, which relied on PAW theory. Most calculations were performed by Profeta, but Mauri and I supervised, and played an equal role in the analysis of the results. I made a large contribution to the writing of the code, but Profeta was the lead.",
year = "2002",
doi = "10.1021/ja027124r",
language = "English",
volume = "125",
pages = "541--548",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society (ACS)",
}