Difference between revisions of "Textbook module"
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| Line 6: | Line 6: | ||
;[[levelpop.m]] | ;[[levelpop.m]] | ||
| − | : | + | :Energy levels and their populations for a single spin |
;[[rlx_nqi.m]] | ;[[rlx_nqi.m]] | ||
| Line 21: | Line 21: | ||
;[[r1csa2tauc.m]] | ;[[r1csa2tauc.m]] | ||
| − | : | + | :Rotational correlation time estimate for CSA dominated longitudinal relaxation. |
;[[r2csa2tauc.m]] | ;[[r2csa2tauc.m]] | ||
| − | : | + | :Rotational correlation time estimate for CSA dominated transverse relaxation. |
;[[quad_shift.m]] | ;[[quad_shift.m]] | ||
| − | : | + | :Second order shift due to strong quadrupolar interaction. |
Revision as of 14:52, 28 June 2021
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_nqi.m
- Redfield rates for quadrupolar relaxation
- 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.
- 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.
