File:State space populations.png

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State_space_populations.png(407 × 333 pixels, file size: 77 KB, MIME type: image/png)

Numerical simulation of the density matrix norm dynamics during the evolution and detection period of a pulse-acquire NMR experiment on the 22-spin system of strychnine. All distances and magnetic parameters imported from a GIAO DFT B3LYP/EPR-II calculation. Bloch-Redfield-Wangsness relaxation superoperator (including DD, CSA and cross-correlation terms) was used with isotropic rotational diffusion correlation time of 200 ps.

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current12:01, 26 December 2016Thumbnail for version as of 12:01, 26 December 2016407 × 333 (77 KB)Admin (talk | contribs)
08:10, 29 August 2015Thumbnail for version as of 08:10, 29 August 2015509 × 416 (58 KB)Kuprov (talk | contribs)Numerical simulation of the density matrix norm dynamics during the evolution and detection period of a pulse-acquire NMR experiment on the 22-spin system of strychnine. All distances and magnetic parameters imported from a GIAO DFT B3LYP/EPR-II calcul...
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