ModelFree
ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.
Predicting NMR Spectra
Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.
BioMagResBank
Repository for data from NMR spectroscopy on proteins, peptides, and nucleic acids.
Chemical shifts for deuterated solvents
A table.
MEXICO and MEX
Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems
H1 Prediction
WEB based prediction of proton chemical shifts.
Gaussian Inc.
Gaussian structure calculation software for your PC.
HyperNMR
Commercial program for a priori prediction of one-dimensional NMR spectra
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