Symbolic NMR Product Operator Calculations

A New Graphical User Interface for Teaching NMR

The classical Nuclear Magnetic Resonance (NMR) vector model is known to be very effective and useful in teaching basic NMR 1D pulse sequences such as spin echo. For more complicated spin systems, density matrix calculation is often used. This method is known to be very complicated and not easy to follow after couple steps. Students usually get lost within the calculation and loose the physical ...

Symbolic cumulant calculations for frequency domain time series

With time series data, there is often the issue of finding accurate approximations for the variance of such quantities as the sample autocovariance function or spectral estimate. Smith and Field (1993) proposed a variance estimate motivated by resampling in the frequency domain. In this paper we present some results on the cumulants of this and other frequency domain estimates obtained via symb...

Some Aspects of Polarisation Transfer in Nmr Spectroscopy

Modern NMR methods in liquids are based on the transfer of polarisation from nucleus to nucleus to generate multidimensional heteronuclear correlation spectra. The factors that influence the efficiency of heteronuclear polarisation transfer in multi-pulse experiments, and in that way the quality of spectra are the subject of this thesis. The flow of coherence through pulse sequences can be desi...

SNEG - Mathematica package for symbolic calculations with second-quantization-operator expressions

Quantum Gates Based on Polarization Transfer NMR Spectroscopy

We first introduce an alternative way to study the insensitive nuclei enhanced by polarization and distortionless enhancement by polarization transfer NMR experiments with the product operator descriptions for weakly coupled IS (I = 1/2, S = 1/2) spin systems as a quantum controlled not gate and a not gate, respectively. In this framework we apply the density matrix operators obtained from the ...