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QSim, a program for NMR simulations

Helgstrand, Magnus LU and Allard, Peter (2004) In Journal of Biomolecular NMR 30(1). p.71-80
Abstract
We present QSim, a program for simulation of NMR experiments. Pulse sequences are implemented and analyzed in QSim using a mouse driven interface. QSim can handle almost any modern NMR experiment, using multiple channels, shaped pulses, mixing, decoupling, phase-cycling and pulsed field gradients. Any number of spins with any spin quantum number can, in theory, be used in simulations. Relaxation is accounted for during all steps of pulse sequences and relaxation interference effects are supported. Chemical kinetics between any numbers of states can be simulated. Both classical and quantum mechanical calculations can be performed. The result of a simulation can be presented either as magnetization as a function of time or as a processed... (More)
We present QSim, a program for simulation of NMR experiments. Pulse sequences are implemented and analyzed in QSim using a mouse driven interface. QSim can handle almost any modern NMR experiment, using multiple channels, shaped pulses, mixing, decoupling, phase-cycling and pulsed field gradients. Any number of spins with any spin quantum number can, in theory, be used in simulations. Relaxation is accounted for during all steps of pulse sequences and relaxation interference effects are supported. Chemical kinetics between any numbers of states can be simulated. Both classical and quantum mechanical calculations can be performed. The result of a simulation can be presented either as magnetization as a function of time or as a processed spectrum. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Biomolecular NMR
volume
30
issue
1
pages
71 - 80
publisher
Springer
external identifiers
  • pmid:15452436
  • wos:000224099800007
  • scopus:4644275783
ISSN
1573-5001
DOI
10.1023/B:JNMR.0000042962.00088.f4
language
English
LU publication?
yes
id
5fa27bf5-d439-4f74-87b5-6da861764f5f (old id 141083)
date added to LUP
2007-06-29 11:10:35
date last changed
2017-06-18 03:46:07
@article{5fa27bf5-d439-4f74-87b5-6da861764f5f,
  abstract     = {We present QSim, a program for simulation of NMR experiments. Pulse sequences are implemented and analyzed in QSim using a mouse driven interface. QSim can handle almost any modern NMR experiment, using multiple channels, shaped pulses, mixing, decoupling, phase-cycling and pulsed field gradients. Any number of spins with any spin quantum number can, in theory, be used in simulations. Relaxation is accounted for during all steps of pulse sequences and relaxation interference effects are supported. Chemical kinetics between any numbers of states can be simulated. Both classical and quantum mechanical calculations can be performed. The result of a simulation can be presented either as magnetization as a function of time or as a processed spectrum.},
  author       = {Helgstrand, Magnus and Allard, Peter},
  issn         = {1573-5001},
  language     = {eng},
  number       = {1},
  pages        = {71--80},
  publisher    = {Springer},
  series       = {Journal of Biomolecular NMR},
  title        = {QSim, a program for NMR simulations},
  url          = {http://dx.doi.org/10.1023/B:JNMR.0000042962.00088.f4},
  volume       = {30},
  year         = {2004},
}