Nbo
The Natural Bond Orbital (NBO) program NBO 6.0 is a discovery tool for chemical insights from complex wavefunctions. NBO 6.0 is the current version of the broad suite of ‘natural’ algorithms for optimally expressing numerical solutions of Schrödinger’s wave equation in the chemically intuitive language of Lewis-like bonding patterns and associated resonance-type ‘donor-acceptor’ interactions.
Version: 6.0
Availability: MARCONI
Target: restricted
Official web site: http://nbo6.chem.wisc.edu/
Related Commands:
module load profile/chem
module load nbo