Datasets Comparison
Version 1
Rapid solid-state 29Si NMR chemical shift refinements of pure silica zeolite frameworks with an improved structure-to-shift correlation
Description
Mathematica notebook for carrying out chemical shift structure refinements of zeolite frameworks; Chemical shift structure refinement data and results including NMR spectra (.jdx format) and initial and refined crystal structures (.cif files); Input and output files for CASTEP calculations of 29Si chemical shieldings.
Institutions
Institutions
Redeemer University College
Categories
Chemistry, Nuclear Magnetic Resonance, High-Silica Zeolite, Structure Determination Crystallography
Funders
Natural Sciences and Engineering Research Council
Canada
DDG-2024-00008
Licence
Creative Commons Attribution 4.0 International
Version 2
Rapid solid-state 29Si NMR chemical shift refinements of pure silica zeolite frameworks with an improved structure-to-shift correlation
Description
Mathematica notebook for carrying out chemical shift structure refinements of zeolite frameworks; Chemical shift structure refinement data and results including NMR spectra (.jdx format) and initial and refined crystal structures (.cif files); Input and output files for CASTEP calculations of 29Si chemical shieldings.
Institutions
Institutions
Redeemer University College
Categories
Chemistry, Nuclear Magnetic Resonance, High-Silica Zeolite, Structure Determination Crystallography
Funders
Natural Sciences and Engineering Research Council
Canada
DDG-2024-00008
Licence
Creative Commons Attribution 4.0 International