Difference between revisions of "Ang2cgsppm.m"
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Revision as of 19:53, 28 December 2017
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.
Contents
Syntax
cgsppm=ang2cgsppm(ang)
Description
Arrays of any dimensions are supported.
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 2.1, authors: Ilya Kuprov
