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)

Arguments

    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

Version 2.2, authors: Ilya Kuprov