csa2racs.m

Calculates a high-temperature estimate of the residual anisotropic chemical shift from a user-supplied CSA tensor and magnetic susceptibility tensor, implementing Equation (2) from the paper by Otting and co-workers: http://dx.doi.org/10.1021/ja0564259.

Syntax

    racs=csa2racs(csa,chi,B,T)

Parameters

     csa - 3x3 chemical shift tensor in ppm

     chi - 3x3 magnetic susceptibility tensor 
           in cubic Angstroms

       T - absolute temperature in Kelvin

       B - magnetic induction in Tesla

Outputs

    racs - residual anisotropic chemical 
           shift in ppm

See also

residual.m, hfc2pcs.m, hfc2pms.m, ppcs.m, ipcs.m, centroid.m, eqmag.m, fieldscan_enlev.m, fieldscan_magn.m, geffect.m, ippcs.m, kpcs.m, pcs2chi.m, pcs_combi_fit.m, pms2chi.m, probmax.m, Built-in_experiments

Version 2.1, authors: Ilya Kuprov