Simulating Spin Dynamics in NMR with a New Computer Program Intended for Education: Insensitive

The NMR experiment is usually described by a choice of three models that operate on different levels of abstraction: the vector model, the product operator formalism and the density matrix approach. The transition between these models poses a didactic challenge for teacher and student alike. A new computer program is presented, which simulates a spin system on the textbook level and compares the three approaches, with the possibility to manipulate the system at every step. It closes a gap between NMR education and professional simulation tools. Some algorithms are explained, which are used in the simulation to extract information from the density matrix. (C) 2011 Wiley Periodicals, Inc. Concepts Magn Reson Part A 38A: 17-24, 2011.