Difference between revisions of "Ang2cgsppm.m"
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cgsppm=ang2cgsppm(ang) | cgsppm=ang2cgsppm(ang) | ||
| − | == | + | ==Parameters== |
ang - an array of values in cubic Angstrom | ang - an array of values in cubic Angstrom | ||
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==See also== | ==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]] | + | [[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]]'' | ''Version 2.2, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 19:34, 6 June 2026
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
