sigma_vdw.m
- This function fetches the sigma radius parameter, originally taken from the link below
- from 'A cartography of the van der Waals territories'
- Santiago Alvarez doi:10.1039/c3dt50599e
- Z 61 and 84-88 are made up....
Contents
Version
2.11
Contact
Please report problems/bugs to michael.holmboe@umu.se
Examples
- sigma = sigma_vdw({'O'})
- sigma = sigma_vdw('O')
function sigma = sigma_vdw(Atom_label)
rvdw = radius_vdw(Atom_label);
sigma = rvdw/(2^(1/6));