cgsppm2ang.m

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

Syntax

    ang=cgsppm2ang(cgsppm)

Parameters

    cgsppm  - any numerical array of susceptibility 
              values in cgs-ppm

Outputs

    ang     - array of the same size with suscepti-
              bility values in cubic Angstrom

See also

ang2cgsppm.m, ppcs.m, kpcs.m, lpcs.m, hfc2pcs.m, hfc2pms.m, anas2mat.m, axrh2mat.m, castep2nqi.m, conmat.m, dictum.m, dihedral.m, eeqq2nqi.m, fdhess.m, fdkup.m, fdlap.m, fdmat.m, fdvec.m, fdweights.m, frac2cart.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, interpmat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, points2mult.m, ppm2hz.m, qform2sph.m, spsk2mat.m, tsm2param.m, xyz2dd.m, zfs2mat.m, Hyperfine_shift_module, Kernel_utilities

Version 2.3, authors: Ilya Kuprov