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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008274927> ?p ?o ?g. }

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• W2008274927 abstract "An NMR structure refinement method for the NMR crystallography of zeolites is presented and demonstrated to give an NMR-determined crystal structure for the zeolite Sigma-2 that is in very good agreement with the single-crystal X-ray diffraction structure. The Si coordinates of the zeolite framework were solved from 29Si double-quantum NMR data obtained at a low magnetic field strength (7.0 T) and the Si and O coordinates were subsequently refined using the principal components of 29Si chemical shift tensors experimentally measured at an ultrahigh-field (21.1 T) and calculated using ab initio quantum chemical methods." @default.
• W2008274927 created "2016-06-24" @default.
• W2008274927 creator A5020431627 @default.
• W2008274927 date "2008-04-24" @default.
• W2008274927 modified "2023-09-23" @default.
• W2008274927 title "NMR Crystallography of Zeolites: Refinement of an NMR-Solved Crystal Structure Using ab Initio Calculations of ²⁹Si Chemical Shift Tensors" @default.
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• W2008274927 doi "https://doi.org/10.1021/ja800227f" @default.
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