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 Schr√∂dinger’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