Difference between revisions of "Cgsppm2ang.m"
(Created page with "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 funct...") |
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| − | 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. | + | {{DISPLAYTITLE:cgsppm2ang.m}} __NOTOC__ |
| + | 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) | |
| + | |||
| + | ==Arguments== | ||
| + | |||
| + | 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]] | ||
| + | |||
| + | |||
| + | ''Version 2.3, authors: [[Ilya Kuprov]]'' | ||
Revision as of 18:49, 26 December 2018
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)
Arguments
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
Version 2.3, authors: Ilya Kuprov
