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 diploma thesis, XNMR during my PhD thesis in the research group Kreiter at the Technical University of Kaiserslautern, Germany.
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:
The ANSI C sources of XNMR are available for download.
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: