Difference between revisions of "Textbook module"
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''Version 2.7, authors: [[Ilya Kuprov]]'' | ''Version 2.7, authors: [[Ilya Kuprov]]'' | ||
Revision as of 12:30, 25 April 2026
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
- r1n_dnp.m
- A simple model for nuclear longitudinal relaxation rate due to the presence of an unpaired electron in cryogenic DNP settings.
- rlx_csa.m
- Redfield rates for CSA relaxation.
- rlx_dd_csa.m
- Redfield theory expressions for CSA-DD-CSA rates relevant to TROSY effect.
- trosy_eff.m
- TROSY efficiency in a two-spin system.
- 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 2.7, authors: Ilya Kuprov
