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Prediction Software

4 links
Gaussian Inc.
gaussian.com

Gaussian structure calculation software for your PC.

453 visits Jun 29, 2024 Details
MEXICO and MEX
chemistry.mcmaster.ca

Chemical Exchange Lineshape Software. This is a set of programs for calculating the lineshapes in both coupled and uncoupled spin systems

28 visits Oct 21, 2024 Details
ModelFree
cpmcnet.columbia.edu

ModelFree is a program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data.

377 visits Jul 28, 2023 Details
Predicting NMR Spectra
acdlabs.com

Advanced Chemistry Development offers the industry standard HNMR, CNMR, XNMR, and 2D NMR prediction software and databases.

417 visits Jul 26, 2025 Details

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