Data.zip
Data
.ipynb_checkpoints
PRX-checkpoint.ipynb
43.8 kB
current.K-KCl.core_and_wcs.dat
670.3 kB
current.K-KCl.nominal_charges_and_lone_pair.dat
670.3 kB
displaced_dipole.H3+.dat
4.7 kB
displaced_dipole.K3Cl.dat
3.8 kB
gap_HOMO-1LUMO.K33Cl31.dat
299.9 kB
gap_HOMOLUMO.K33Cl31.dat
299.9 kB
sigma.K-KCl.core_and_wcs.dat
48.0 kB
sigma.K-KCl.cross.dat
127.3 kB
sigma.K-KCl.ionic.dat
46.2 kB
sigma.K-KCl.nominal_charges_and_lone_pair.dat
48.1 kB