SIMPSON

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Current revision

authors: Mads Bak, Jimmy Tønners Rasmussen, Niels Chr. Nielsen, Zdenek Tosner, Thomas Vosegaard
project website: SIMPSON Home Page
license: GPL

Overview

SIMPSON is a general purpose solid-state NMR simulation software [1]. SIMMOL is an helper software that allow to describe the spin system and calculate all needed parameters. It work by numerical integration of the Liouville-von- Neumann equation, this require a complete description of the Hamiltonian of the system ( this is done by simmol, and contains all coupling, zeeman interaction, pulse ... ) and a starting density matrix.

References

1. Bak, M and Rasmussen, JT and Nielsen, NC. SIMPSON: A General Simulation Program for Solid-State NMR Spectroscopy. Journal of Magnetic Resonance 147(2):296--330, 2000. BibTeX [sim1]