ang2cgsppm.m

Converts magnetic susceptibility from the Angstrom^3 units required by Spinach pseudocontact shift functionality into the cgs-ppm (aka cm^3/mol) units quoted by quantum chemistry packages.

Syntax

    cgsppm=ang2cgsppm(ang)

Parameters

    ang - an array of values in cubic Angstrom

Outputs

    cgsppm - an array of values in cgs-ppm

See also

icm2hz.m, hz2icm.m, castep2nqi.m, cgsppm2ang.m, eeqq2nqi.m, frac2cart.m, gauss2mhz.m, fwhm2rlx.m, g2freq.m, hartree2joule.m, mhz2gauss.m, mt2hz.m, anas2mat.m, axrh2mat.m, conmat.m, dictum.m, dihedral.m, ham2nqi.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, xyz2dd.m, zfs2mat.m, Kernel_utilities

Version 2.2, authors: Ilya Kuprov