Many molecules show temperature-dependent NMR spectra. The analysis of these spectra provides information about themodynamic data.

GEMNMR and XNMR support the simulation of these spectra. I developed GEMNMR during my dissertation, XNMR during my PhD thesis in the research group Kreiter at the Technical University of Kaiserslautern, Germany.

Information on XNMR

XNMR is shareware for the X-Window-System (X11), capable of simulating exchange-broadened NMR spectra of molecules with up to nine chemical configurations. XNMR further supports up to a certain degree the processing of experimental data obtained with Bruker NMR spectrometers. Some basic features of XNMR are:

• Multiple datasets in multiple windows
• Lineshape analysis
• Stacked plots
• Scalable PostScript output
• Thermodynamic calculations

The ANSI C sources of XNMR are available for download.

Information on GEMNMR

The GEMNMR shareware software runs under the GEM GUI and supports the simulation of exchange-broadened NMR spectra. The PC version requires a system with GEM/3 installed. For the Atari version no additional software is required.
GEMNMR without floating point processor support is freeware. The binaries are available for download:

• Atari version
• PC version for GEM/3