csa2racs.m

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Residual anisotropic chemical shifts.

Syntax

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

Description

Calculates a high-termperature estimate of the residual anisotropic chemcial shift from user-supplied CSA tensor and magnetic susceptibility tensor. The function implements Equation (2) from the paper by Otting and company: http://dx.doi.org/10.1021/ja0564259

Arguments

     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


Version 2.1, authors: Ilya Kuprov