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Simulating spin dynamics in NMR with a new computer program intended for education : Insensitive

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2011

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https://doi.org/10.1002/cmr.a.20203
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Chemie: Publikationen
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Concepts in Magnetic Resonance Part A. 2011, 38A(2), pp. 17-24. ISSN 1546-6086. eISSN 1552-5023. Available under: doi: 10.1002/cmr.a.20203

Zusammenfassung

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.

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Fachgebiet (DDC)
540 Chemie

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simulation; software; spin dynamics; density matrix; product operators; vector model; magnetic resonance

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ISO 690BOLDT, Klaus, 2011. Simulating spin dynamics in NMR with a new computer program intended for education : Insensitive. In: Concepts in Magnetic Resonance Part A. 2011, 38A(2), pp. 17-24. ISSN 1546-6086. eISSN 1552-5023. Available under: doi: 10.1002/cmr.a.20203
BibTex
@article{Boldt2011-03-29Simul-44286,
  year={2011},
  doi={10.1002/cmr.a.20203},
  title={Simulating spin dynamics in NMR with a new computer program intended for education : Insensitive},
  number={2},
  volume={38A},
  issn={1546-6086},
  journal={Concepts in Magnetic Resonance Part A},
  pages={17--24},
  author={Boldt, Klaus}
}
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