Preview

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