Difference between revisions of "Textbook module"
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;[[levelpop.m]] | ;[[levelpop.m]] | ||
:Energy levels and their populations for a single spin | :Energy levels and their populations for a single spin | ||
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;[[rlx_csa.m]] | ;[[rlx_csa.m]] | ||
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;[[rlx_dip.m]] | ;[[rlx_dip.m]] | ||
:Redfield theory expressions for dipolar relaxation and cross-relaxation rates. | :Redfield theory expressions for dipolar relaxation and cross-relaxation rates. | ||
| + | |||
| + | ;[[rlx_hfc.m]] | ||
| + | :Redfield theory expressions for hyperfine relaxation and cross-relaxation rates. | ||
| + | |||
| + | ;[[rlx_nqi.m]] | ||
| + | :Redfield rates for quadrupolar relaxation | ||
;[[r1csa2tauc.m]] | ;[[r1csa2tauc.m]] | ||
Revision as of 12:30, 1 November 2022
This is a collection of textbook formulas.
Functions
- brokensymm.m
- Exchange coupling estimation from a pair of DFT logs using Yamaguchi equation.
- levelpop.m
- Energy levels and their populations for a single spin
- rlx_csa.m
- Redfield rates for CSA relaxation.
- rlx_dd_csa.m
- Redfield theory expressions for CSA-DD-CSA rates relevant to TROSY effect.
- rlx_dip.m
- Redfield theory expressions for dipolar relaxation and cross-relaxation rates.
- rlx_hfc.m
- Redfield theory expressions for hyperfine relaxation and cross-relaxation rates.
- rlx_nqi.m
- Redfield rates for quadrupolar relaxation
- r1csa2tauc.m
- Rotational correlation time estimate for CSA dominated longitudinal relaxation.
- r2csa2tauc.m
- Rotational correlation time estimate for CSA dominated transverse relaxation.
- quad_shift.m
- Second order shift due to strong quadrupolar interaction.
Version 2.6, authors: Ilya Kuprov
