Software

QUEST NMR  
QUEST—QUadrupolar Exact SofTware: A fast graphical program for the exact simulation of NMR and NQR spectra for quadrupolar nuclei
F. A. Perras, C. M. Widdifield, D. L. Bryce, Solid State Nucl. Magn. Reson., vol. 45-46, 36-44 (2012).

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EFGShield
EFGShield analysis tool for quantum chemical calculations of NMR parameters
S. Adiga, D. Aebi, D. L. Bryce, Can. J. Chem., 85, 496-505 (2007).

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SCFit 
SCFit: Software for Single-Crystal NMR Analysis. Free vs Constrained Fitting

Y. Xu and D. L. Bryce.  Solid State Nucl. Magn. Reson., 102, 53-62 (2019).

Download the latest version of QUEST here:  
QUEST version 1.1.7 July 2018 version incorporating all previous improvements and bug fixes

Older versions:
QUEST version 1.1.6 February 2014 version incorporating all previous improvements and bug fixes QUEST version 1.1.5 October 2013 version incorporating all previous improvements and bug fixes
QUEST version 1.1.4 October 2013 version (compiled for current versions of Windows; bug fix for Ti-47/49)
QUEST version 1.1.3 November 2012 version (compiled for current versions of Windows)
QUEST version 1.1.3p November 2012 version (compiled for current versions of Windows; optimized for multicore processors)
QUEST version 1.1.2 September 2012 version (compiled for current versions of Windows)
QUEST version 1.1.1  August 2012 version (compiled for current versions of Windows)
QUEST version 1.1  July 2012 version (compiled for current versions of Windows)
QUEST version 1.0  May 2012 version (compiled for current versions of Windows)


Version 1.1.3 is much faster and fixes a small bug.  Version 1.1.3 is also parallelized for multicore processors.
Version 1.1.2 is about 75 % faster than previous versions.
Version 1.1.1 fixes a small bug which affected some Zeeman-perturbed NQR intensities for spin-3/2 nuclei.
Updates to version 1.1 include: Boltzmann population effects, interactive cursor, spin-3 nuclides, vertical scaling, variable coil angle for all spins, and more!

Download the latest version of EFGShield here:   EFGShield version 4.7.1  (Feb 2022) - added compatibility with ADF-GUI generated input files

Older versions:

EFGShield version 4.7 with GUI (Feb. 2022) added compatibility with ADF-GUI generated input files
EFGShield version 4.6 with GUI (Feb. 2021) improved compatibility with a wider range of input files
EFGShield version 4.5 with GUI (March 2019) improve compatibility with a wider range of input files
EFGShield version 4.3 with GUI (June 2018) adds Year 2017 quadrupole moments
EFGShield version 4.2 with GUI (May 2014)
EFGShield version 4.1 with GUI (February 2014)
EFGShield version 4.0 with GUI (October 2013)
EFGShield24.exe (version 2.4, posted July 2011 - this version solves some intermittent problems with ver. 2.3)
EFGShield23.exe   (version 2.3, April 2009)
EFGShield23b.exe (May 2009 - this version may be more robust on some PCs)

Download the latest version of SCFit here:   SCFit