Rapid solid-state 29Si NMR chemical shift refinements of pure silica zeolite frameworks with an improved structure-to-shift correlation

Published: 15 October 2025| Version 2 | DOI: 10.17632/m4zcs676rs.2
Contributor:
Darren Brouwer

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.

Files

Institutions

  • Redeemer University College

Categories

Chemistry, Nuclear Magnetic Resonance, High-Silica Zeolite, Structure Determination Crystallography

Funders

Licence