Difference between revisions of "Cgsppm2ang.m"
(Normalise sequential blank lines) |
|||
| Line 18: | Line 18: | ||
==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]] | ||
| − | |||
''Version 2.3, authors: [[Ilya Kuprov]]'' | ''Version 2.3, authors: [[Ilya Kuprov]]'' | ||
Revision as of 12:23, 25 April 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)
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
