T1calc

Developer: JPG Malthouse

Current Version: 1.0.2

Last Updated: 11 months ago

Download Size: 4.8 MB - Download

Description:

This program calculates the spin lattice relation time (T1) and linewidth of a carbon atom relaxing by interacting with up 5 different nuclei by dipolar relaxation and or by Chemical Shift anisotropy (CSA) provided you know the rotational correlation time of the molecule.

Output can be printed, saved as a text document or copied and pasted into applications such as Word.

Linewidths and T1 values are calculated for a carbon atom in a rigid isotropically tumbling molecule as described in the following references.

Norton et al., 1977 J.Am.Chem.Soc. 99, 79-83.
Oldfield et al., 1975 J. Biol.Chem. 250, 6368-6380
Doddrell et al., 1972 J.Chem. Phys. 56, 3683-3689

If you want to refresh your knowledge of the practical aspects of 1D NMR you might find the iphone app "NMRQA" on the iTunes app store useful. If you want to analyse pH dependent chemical shift data you might find "ppmfit" on the Mac app store useful.

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Release Notes:

The App has been updated with a new Icons and Screenshots

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