Difference between revisions of "Ang2cgsppm.m"
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| − | {{DISPLAYTITLE:ang2cgsppm.m}} | + | {{DISPLAYTITLE:ang2cgsppm.m}} __NOTOC__ |
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. | 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. | ||
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cgsppm=ang2cgsppm(ang) | cgsppm=ang2cgsppm(ang) | ||
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==Arguments== | ==Arguments== | ||
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| − | ''Version 2. | + | ''Version 2.2, authors: [[Ilya Kuprov]]'' |
Revision as of 18:52, 26 December 2018
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
