Difference between revisions of "Cgsppm2ang.m"
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ang=cgsppm2ang(cgsppm) | ang=cgsppm2ang(cgsppm) | ||
| − | == | + | ==Parameters== |
cgsppm - any numerical array of susceptibility | cgsppm - any numerical array of susceptibility | ||
| Line 17: | Line 17: | ||
==See also== | ==See also== | ||
| − | [[ang2cgsppm.m]], [[ppcs.m]], [[kpcs.m]], [[lpcs.m]], [[hfc2pcs.m]], [[hfc2pms.m]] | + | [[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]]'' | ''Version 2.3, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:35, 6 June 2026
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
