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NBO is  a program performing the General Natural Bond Orbital Analysis.

It can be used as a stand-alone program or in combination with any NBO-compatible host electronic structure system (ESS).  It has program interfaces to Gaussian or GAMESS programs. This makes it possible to call NBO directly from the mentioned programs.  The NBO Developers Team (University of Wisconsin, USA) maintains the NBO web-site, where you can get all necessary information regarding of the program.


List of versions installed on Gadi:

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