Aluminium siting in zeolite RTH from a combined machine learning – NMR approach
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Author(s):
Daniel Willimetz; Joaquin Martínez-Ortigosa; Deborah Brako-Amoafo; Lukáš Grajciar; J. Alejandro Vidal-Moya; Carlos Bornes; Vincent Sarou-Kanian; Fernando Rey; Teresa Blasco; Christopher J. Heard
Published in:
Journal of Materials Chemistry A, 2026, ISSN 2050-7496
Publisher:
Royal Society of Chemistry
DOI:
10.1039/D5TA09253A
A machine learning approach for dynamical modelling of Al distributions in zeolites <i>via</i><sup>23</sup>Na/<sup>27</sup>Al solid-state NMR
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Author(s):
Chen Lei; Carlos Bornes; Oscar Bengtsson; Andreas Erlebach; Ben Slater; Lukas Grajciar; Christopher J. Heard
Published in:
Faraday Discussions, 2025, ISSN 1364-5498
Publisher:
Royal Society of Chemistry
DOI:
10.1039/D4FD00100A
Big data and simulations in NMR crystallography: general discussion
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Author(s):
Sharon E. Ashbrook; Gregory J. O. Beran; Jan Blahut; Frédéric Blanc; Carlos Bornes; Lee Brammer; Steven P. Brown; Thibault Charpentier; Martin Dračínský; Marta K. Dudek; Lyndon Emsley; Carl H. Fleischer; Andrew L. Goodwin; Angela F. Harper; Kenneth D. M. Harris; Paul Hodgkinson; Michael A. Hope; Colan E. Hughes; Simone S. Köcher; Zhiyuan Li; Andrew J. Morris; Leonard J. Mueller; Sten O. Nilsson Lill; Sarah L. Price; Benjamin J. Rhodes; Daria Torodii
Published in:
Faraday Discussions, 2025, ISSN 1364-5498
Publisher:
Royal Society of Chemistry
DOI:
10.1039/D4FD90054E