Copyright Terms of UsePrivacy Policy

 

2.7 Analysis

Molecules built from fragments
Bond energy analysis
Total energy evaluation
Symmetry
Localized Molecular Orbitals
Advanced charge density and bond order analysis
Mulliken populations
Hirshfeld charges, Voronoi deformation density
Multipole derived charges
Nalewajski-Mrozek Bond orders
Mayer Bond orders
ETS-NOCV: Natural Orbitals for Chemical Valence
NBO analysis
AIM: Atoms in Molecules
Printed Output
Reduction of output